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Details

Stereochemistry ACHIRAL
Molecular Formula C3H3N3O2
Molecular Weight 113.0749
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID

SMILES

c1nc(C(=O)O)n[nH]1

InChI

InChIKey=LJVQHXICFCZRJN-UHFFFAOYSA-N
InChI=1S/C3H3N3O2/c7-3(8)2-4-1-5-6-2/h1H,(H,7,8)(H,4,5,6)

HIDE SMILES / InChI

Molecular Formula C3H3N3O2
Molecular Weight 113.0749
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, structural characterization, and properties of chromium(III) complexes containing amidinato ligands and eta2-pyrazolato, eta(2)-1,2,4-triazolato, or eta1-tetrazolato ligands.
2006 Oct 7
Flexible and asymmetric ligand in constructing coordinated complexes: synthesis, crystal structures and fluorescent characterization.
2010 Dec 27
Excited state localization and internuclear interactions in asymmetric ruthenium(II) and osmium(II) bpy/tpy based dinuclear compounds.
2010 Mar 15
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 08:55:15 UTC 2021
Edited
by admin
on Sat Jun 26 08:55:15 UTC 2021
Record UNII
7MLK3JCX3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
Systematic Name English
RIBAVIRIN IMPURITY C [EP]
Common Name English
NSC-165527
Code English
S-TRIAZOLE-3-CARBOXYLIC ACID
Systematic Name English
NSC-202574
Code English
1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
Systematic Name English
4H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
Systematic Name English
1H-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
4928-87-4
Created by admin on Sat Jun 26 08:55:15 UTC 2021 , Edited by admin on Sat Jun 26 08:55:15 UTC 2021
PRIMARY
PUBCHEM
295900
Created by admin on Sat Jun 26 08:55:15 UTC 2021 , Edited by admin on Sat Jun 26 08:55:15 UTC 2021
PRIMARY
FDA UNII
7MLK3JCX3W
Created by admin on Sat Jun 26 08:55:15 UTC 2021 , Edited by admin on Sat Jun 26 08:55:15 UTC 2021
PRIMARY
CAS
4928-87-4
Created by admin on Sat Jun 26 08:55:15 UTC 2021 , Edited by admin on Sat Jun 26 08:55:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PARENT -> METABOLITE
a degradative pathway involving deribosylation and amide hydrolysis to yield a triazole carboxylic acid metabolite; Excreted renally
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP