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Details

Stereochemistry ACHIRAL
Molecular Formula C3H3N3O2
Molecular Weight 113.0748
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

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 No
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
Flexible and asymmetric ligand in constructing coordinated complexes: synthesis, crystal structures and fluorescent characterization.
2010 Dec 27
Patents
Substance Class Chemical
Created
by admin
on Thu Jul 06 13:49:09 UTC 2023
Edited
by admin
on Thu Jul 06 13:49:09 UTC 2023
Record UNII
7MLK3JCX3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
Systematic Name English
NSC-165527
Code English
S-TRIAZOLE-3-CARBOXYLIC ACID
Systematic Name English
RIBAVIRIN IMPURITY C [EP IMPURITY]
Common 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
DTXSID10197753
Created by admin on Thu Jul 06 13:49:09 UTC 2023 , Edited by admin on Thu Jul 06 13:49:09 UTC 2023
PRIMARY
NSC
165527
Created by admin on Thu Jul 06 13:49:09 UTC 2023 , Edited by admin on Thu Jul 06 13:49:09 UTC 2023
PRIMARY
PUBCHEM
295900
Created by admin on Thu Jul 06 13:49:09 UTC 2023 , Edited by admin on Thu Jul 06 13:49:09 UTC 2023
PRIMARY
FDA UNII
7MLK3JCX3W
Created by admin on Thu Jul 06 13:49:09 UTC 2023 , Edited by admin on Thu Jul 06 13:49:09 UTC 2023
PRIMARY
CAS
4928-87-4
Created by admin on Thu Jul 06 13:49:09 UTC 2023 , Edited by admin on Thu Jul 06 13:49:09 UTC 2023
PRIMARY
NSC
202574
Created by admin on Thu Jul 06 13:49:09 UTC 2023 , Edited by admin on Thu Jul 06 13:49:09 UTC 2023
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