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Details

Stereochemistry ACHIRAL
Molecular Formula C2H3N3
Molecular Weight 69.0654
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-1,2,4-TRIAZOLE

SMILES

c1ncn[nH]1

InChI

InChIKey=NSPMIYGKQJPBQR-UHFFFAOYSA-N
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

HIDE SMILES / InChI

Molecular Formula C2H3N3
Molecular Weight 69.0654
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and molluscicidal structure-activity relationships of some novel 1,2,4-triazole N-methyl carbamates.
2001 Aug
Synthesis and in-vitro antimicrobial activity of new 1,2,4-triazoles.
2001 Feb
The 1,2,4-triazolyl cation: thermolytic and photolytic studies.
2001 Feb 23
Synthesis of 1-(3-aminopropyl)-4-phenyl-1,2,4-triazolin-5-one and 1-(3-aminopropyl)-3,4-diphenyl-1,2,4-triazolin-5-one.
2001 Jan-Feb
Expanded phthalocyanine analogues: synthesis and characterization of new triazole-derived annulenes containing six heterocyclic subunits.
2001 Jun 1
Efficient synthesis of fused isothiazolo C-nucleosides. III. Synthesis of substituted isothiazol.
2001 Mar
A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase.
2001 Mar 1
Synthesis and antitumor activity of some new phthalimide analogues.
2001 May
An alternative route for Carboni-Lindsey reaction: N,N cycloaddition of an alkene to s-tetrazine.
2001 May 31
Determination of benzylpenicillin, oxacillin, cloxacillin, and dicloxacillin in cows' milk by ion-pair high-performance liquid chromatography after precolumn derivatization.
2001 Sep
Tin-free radical sequences under acidic conditions. Convergent access to azole-containing structures.
2002 Nov 28
Cyclic trinuclear and chain of cyclic trinuclear copper(II) complexes containing a pyramidal Cu(3)O(H) core. Crystal structures and magnetic properties of [Cu(3)(mu(3)-OH)(aaat)(3)(H(2)O)(3)](NO(3))(2).H(2)O [aaat = 3-acetylamino-5-amino-1,2,4-triazolate] and ([Cu(3)(mu(3)-OH)(aat)(3)(mu(3)-SO(4))].6H(2)O)(n) [aat = 3-acetylamino-1,2,4-triazolate]: new cases of spin-frustrated systems.
2002 Nov 4
Synthesis and properties of new substituted 1,2,4-triazoles: potential antitumor agents.
2003 Apr 17
Different oxidation states of copper(I, I/II, II) thiocyanate complexes containing 1,2,4-triazole as a bridging ligand: syntheses, crystal structures, and magnetic properties of 2-D polymer Cu I(admtrz)SCN, linear trinuclear [CuI2CuII(admtrz)6(SCN)2](ClO4)2, and triangular trinuclear [CuII3(admtrz)4(SCN)3(mu3-OH)(H2O)](ClO4)2.H2O (admtrz = 4-amino-3,5-dimethyl-1,2,4-triazole).
2003 Jan 13
Synthesis of oligoribonucleotides containing 4-thiouridine using the convertible nucleoside approach and the 1-(2-fluorophenyl)-4-methoxypiperidin-4-yl group.
2004
Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives.
2004 Apr
Simultaneous determination of cefatrizine and clavulanic acid in dog plasma by HPLC.
2004 Apr 1
Synthesis and anticonvulsant activity of new 2-substituted-5- [2-(2-fluorophenoxy)phenyl]-1,3,4-oxadiazoles and 1,2,4-triazoles.
2004 Dec 20
Tuning of redox potentials for the design of ruthenium anticancer drugs -- an electrochemical study of [trans-RuCl(4)L(DMSO)](-) and [trans-RuCl(4)L(2)](-) complexes, where L = imidazole, 1,2,4-triazole, indazole.
2004 Nov 1
Enzymatic resolution for the preparation of enantiomerically enriched D-beta-heterocyclic alanine derivatives using Escherichia coli aromatic L-amino acid transaminase.
2004 Nov 20
Kinetic and mechanistic study on the reaction of alkylcobaloximes with azoles.
2004 Nov 21
Highly efficient and mild copper-catalyzed N- and C-arylations with aryl bromides and iodides.
2004 Nov 5
Synthesis and antimycobacterial activity of pyridylmethylsulfanyl and naphthylmethylsulfanyl derivatives of benzazoles, 1, 2, 4-triazole, and pyridine-2-carbothioamide/-2-carbonitrile.
2004 Oct
Synthesis and antimicrobial activities of some new 1-(5-phenylamino-[1,3,4]thiadiazol-2-yl)methyl-5-oxo-[1,2,4]triazole and 1-(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl-5-oxo- [1,2,4]triazole derivatives.
2004 Sep
Mechanistic elucidation of the substitution behavior of alkyl cobaloximes in water and methanol as solvents.
2004 Sep 20
Double-headed acyclo C-nucleoside analogues. Functionalized 1,2-bis-(1,2,4-triazol-3-yl)ethane-1,2-diol.
2005
Triazolium-based energetic ionic liquids.
2005 Aug 18
Synthesis and structure-activity relationships of 1,2,4-triazoles as a novel class of potent tubulin polymerization inhibitors.
2005 Dec 1
Solid-phase synthesis of 5-amino-1-(substituted thiocarbamoyl)pyrazole and 1,2,4-triazole derivatives via dithiocarbazate linker.
2005 Jan-Feb
Phthalazine PDE IV inhibitors: conformational study of some 6-methoxy-1,4-disubstituted derivatives.
2005 Jul 15
Adaptive response of antioxidant enzymes to catalase inhibition by aminotriazole in goldfish liver and kidney.
2005 Nov
Synthesis and some first-row transition-metal complexes of the 1,2,4-triazole-based Bis(terdentate) ligands TsPMAT and PMAT.
2005 Nov 18
Metal ion coordination to azole nucleosides.
2005 Oct 21
Tuning of redox properties for the design of ruthenium anticancer drugs: part 2. Syntheses, crystal structures, and electrochemistry of potentially antitumor [Ru III/II Cl6-n(Azole)n]z(n = 3, 4, 6) complexes.
2005 Sep 19
Influence of garlic, synthetic 1,2,4-triasole derivative and herbal preparation echinovit C on selected indices of turkey-hens non-specific immunity.
2006
Electronic properties, redox behavior, and interactions with H2O2 of pH-sensitive hydroxyphenyl-1,2,4-triazole-based oxovanadium(V) complexes.
2006 Apr 3
Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.
2006 Aug 21
A computational study on pi and sigma modes of metal ion binding to heteroaromatics (CH)(5-m)X(m) and (CH)(6-m)X(m) (X = N and P): contrasting preferences between nitrogen- and phosphorous-substituted rings.
2006 Aug 24
Quantum chemical study of the structure and thermochemistry of the five-membered nitrogen-containing heterocycles and their anions and radicals.
2006 Dec 28
Discovery of novel triazole-based opioid receptor antagonists.
2006 Jul 13
Synthesis and characterization of a 3D coordination polymer based on trinuclear triangular CuII as secondary building units.
2006 Jul 24
Synthesis and CYP26A1 inhibitory activity of 1-[benzofuran-2-yl-(4-alkyl/aryl-phenyl)-methyl]-1H-triazoles.
2006 Jun 1
Photoresponsive molecular wires of FeII triazole complexes in organic media and light-induced morphological transformations.
2006 Jun 21
Microwave-assisted organic synthesis of 3-(D-Gluco-pentitol-1-yl)-1H-1,2,4-triazole.
2006 Mar
Three-dimensional networks of lanthanide 1,2,4-triazolates: infinity(3)[Yb(Tz)3] and [Eu2(Tz)5(TzH)2], the first 4f networks with complete nitrogen coordination.
2006 May 21
Photodegradation kinetics of some thiols and thiones in aqueous suspension of zinc oxide.
2006 May-Jun
Experimental and theoretical study of the coordination of 1,2,4-triazolato, tetrazolato, and pentazolato ligands to the [K(18-crown-6)]+ fragment.
2006 Oct 16
Molecular simulation study of some thermophysical and transport properties of triazolium-based ionic liquids.
2006 Sep 14
Synthesis and light-emitting properties of bipolar oligofluorenes containing triarylamine and 1,2,4-triazole moieties.
2006 Sep 14
Nondegenerate pi-donor/pi-acceptor [2]catenanes containing proton-ionizable 1H-1,2,4-triazole subunits: synthesis and spontaneous resolution.
2007
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:08:47 UTC 2021
Edited
by admin
on Sat Jun 26 07:08:47 UTC 2021
Record UNII
10MS0Y1RDI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-1,2,4-TRIAZOLE
HSDB   MI  
Systematic Name English
EFINACONAZOLE METABOLITE H1
Common Name English
TRIAZOLE, 1H,1,2,4-
Common Name English
PYRRODIAZOLE
Common Name English
1H-1,2,4-TRIAZOLE [MI]
Common Name English
1H-1,2,4-TRIAZOLE [HSDB]
Common Name English
NSC-83128
Code English
Classification Tree Code System Code
EPA PESTICIDE CODE 600074
Created by admin on Sat Jun 26 07:08:47 UTC 2021 , Edited by admin on Sat Jun 26 07:08:47 UTC 2021
Code System Code Type Description
PUBCHEM
9257
Created by admin on Sat Jun 26 07:08:48 UTC 2021 , Edited by admin on Sat Jun 26 07:08:48 UTC 2021
PRIMARY
MERCK INDEX
M11036
Created by admin on Sat Jun 26 07:08:48 UTC 2021 , Edited by admin on Sat Jun 26 07:08:48 UTC 2021
PRIMARY Merck Index
DRUG BANK
DB03594
Created by admin on Sat Jun 26 07:08:47 UTC 2021 , Edited by admin on Sat Jun 26 07:08:47 UTC 2021
PRIMARY
FDA UNII
10MS0Y1RDI
Created by admin on Sat Jun 26 07:08:48 UTC 2021 , Edited by admin on Sat Jun 26 07:08:48 UTC 2021
PRIMARY
ECHA (EC/EINECS)
206-022-9
Created by admin on Sat Jun 26 07:08:47 UTC 2021 , Edited by admin on Sat Jun 26 07:08:47 UTC 2021
PRIMARY
HSDB
7860
Created by admin on Sat Jun 26 07:08:48 UTC 2021 , Edited by admin on Sat Jun 26 07:08:48 UTC 2021
PRIMARY
CAS
288-88-0
Created by admin on Sat Jun 26 07:08:47 UTC 2021 , Edited by admin on Sat Jun 26 07:08:47 UTC 2021
PRIMARY
EPA CompTox
288-88-0
Created by admin on Sat Jun 26 07:08:47 UTC 2021 , Edited by admin on Sat Jun 26 07:08:47 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
PARENT -> METABOLITE
lacks pharmacologic activity
MAJOR