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Details

Stereochemistry ACHIRAL
Molecular Formula C3H3N3O2
Molecular Weight 113.0748
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

OC(=O)C1=NNC=N1

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 113.0748
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Early transition metal complexes containing 1,2,4-triazolato and tetrazolato ligands: synthesis, structure, and molecular orbital studies.
2001 Dec 3
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
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
Chlorido(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).
2007 Dec 6
Diaqua-bis(1H-1,2,4-triazole-3-carboxyl-ato)cadmium(II).
2007 Dec 6
Nitrato(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).
2008 Jan 23
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 Tue Mar 06 12:06:33 UTC 2018
Edited
by admin
on Tue Mar 06 12:06:33 UTC 2018
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 Tue Mar 06 12:06:33 UTC 2018 , Edited by admin on Tue Mar 06 12:06:33 UTC 2018
PRIMARY
PUBCHEM
295900
Created by admin on Tue Mar 06 12:06:33 UTC 2018 , Edited by admin on Tue Mar 06 12:06:33 UTC 2018
PRIMARY
CAS
4928-87-4
Created by admin on Tue Mar 06 12:06:33 UTC 2018 , Edited by admin on Tue Mar 06 12:06:33 UTC 2018
PRIMARY
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