U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C2H3N3
Molecular Weight 69.0653
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

N1C=NC=N1

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 69.0653
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 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
An alternative route for Carboni-Lindsey reaction: N,N cycloaddition of an alkene to s-tetrazine.
2001 May 31
Synthesis of some functionalized arylaminomethyl-1 ,2,4-triazoles, 1,3,4-oxa- and thiadiazoles.
2003 Nov
Solution and solid-supported synthesis of 3,4,5-trisubstituted 1,2,4-triazole-based peptidomimetics.
2003 Nov 13
The susceptibility of certain microbial strains to fused 1,2,4-triazole derivatives.
2004
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
Efficient and regiospecific one-pot synthesis of substituted 1,2,4-triazoles.
2004 Aug 19
Discovery of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1h-1,2,4-triazole, a novel in vivo cannabinoid antagonist containing a 1,2,4-triazole motif.
2004 May 20
Synthesis and antimycobacterial activity of pyridylmethylsulfanyl and naphthylmethylsulfanyl derivatives of benzazoles, 1, 2, 4-triazole, and pyridine-2-carbothioamide/-2-carbonitrile.
2004 Oct
Double-headed acyclo C-nucleoside analogues. Functionalized 1,2-bis-(1,2,4-triazol-3-yl)ethane-1,2-diol.
2005
1-butyl-3-methylimidazolium 3,5-dinitro-1,2,4-triazolate: a novel ionic liquid containing a rigid, planar energetic anion.
2005 Feb 21
Optimized block-wise variable combination by particle swarm optimization for partial least squares modeling in quantitative structure-activity relationship studies.
2005 Mar-Apr
Carbonic anhydrase inhibitors. Inhibition of the cytosolic and tumor-associated carbonic anhydrase isozymes I, II, and IX with a series of 1,3,4-thiadiazole- and 1,2,4-triazole-thiols.
2005 May 2
Syntheses, structures, and magnetic properties of unusual nonlinear polynuclear copper(II) complexes containing derivatives of 1,2,4-triazole and pivalate ligands.
2005 Oct 31
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
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
Synthesis of cyclopentenyl carbocyclic nucleosides as potential antiviral agents against orthopoxviruses and SARS.
2006 Feb 9
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
Nondegenerate pi-donor/pi-acceptor [2]catenanes containing proton-ionizable 1H-1,2,4-triazole subunits: synthesis and spontaneous resolution.
2007
Synthesis of 1,2,4-triazole C-nucleosides from hydrazonyl chlorides and nitriles.
2007
Visible spectra of type II cytochrome P450-drug complexes: evidence that "incomplete" heme coordination is common.
2007 Apr
Highly potent triazole-based tubulin polymerization inhibitors.
2007 Feb 22
Assessing the data quality in predictive toxicology using a panel of cell lines and cytotoxicity assays.
2007 Mar 15
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 16 22:26:57 UTC 2022
Edited
by admin
on Fri Dec 16 22:26:57 UTC 2022
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 Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
Code System Code Type Description
PUBCHEM
9257
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
NSC
83128
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
MERCK INDEX
M11036
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY Merck Index
DRUG BANK
DB03594
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
CHEBI
35550
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
WIKIPEDIA
1,2,4-Triazole
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
FDA UNII
10MS0Y1RDI
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
ECHA (EC/EINECS)
206-022-9
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
HSDB
7860
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
CAS
288-88-0
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
EPA CompTox
DTXSID6027131
Created by admin on Fri Dec 16 22:26:57 UTC 2022 , Edited by admin on Fri Dec 16 22:26:57 UTC 2022
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
lacks pharmacologic activity
MAJOR
PARENT -> METABOLITE