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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H5N3O2
Molecular Weight 127.1014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIAZOLYL ACETIC ACID

SMILES

OC(=O)CC1=CNN=N1

InChI

InChIKey=GHQLZTGXGWVGSI-UHFFFAOYSA-N
InChI=1S/C4H5N3O2/c8-4(9)1-3-2-5-7-6-3/h2H,1H2,(H,8,9)(H,5,6,7)

HIDE SMILES / InChI

Molecular Formula C4H5N3O2
Molecular Weight 127.1014
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Determination of 22 triazole compounds including parent fungicides and metabolites in apples, peaches, flour, and water by liquid chromatography/tandem mass spectrometry.
2005 Sep-Oct
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:54:21 GMT 2023
Edited
by admin
on Sat Dec 16 09:54:21 GMT 2023
Record UNII
8OEV0V0Y64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIAZOLYL ACETIC ACID
Systematic Name English
1H-1,2,3-TRIAZOLE-5-ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
8OEV0V0Y64
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY
CAS
947723-95-7
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY
PUBCHEM
19980995
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID701020498
Created by admin on Sat Dec 16 09:54:21 GMT 2023 , Edited by admin on Sat Dec 16 09:54:21 GMT 2023
PRIMARY