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Details

Stereochemistry ACHIRAL
Molecular Formula C4H6N4O2
Molecular Weight 142.116
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 5-AMINO-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE

SMILES

COC(=O)C1=NC(=N)NN1

InChI

InChIKey=OSZNPKRMPBUQLB-UHFFFAOYSA-N
InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)

HIDE SMILES / InChI

Molecular Formula C4H6N4O2
Molecular Weight 142.116
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:09:58 GMT 2025
Edited
by admin
on Tue Apr 01 19:09:58 GMT 2025
Record UNII
33BDL3S99S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 5-AMINO-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
Systematic Name English
NSC-139097
Preferred Name English
5-AMINO-1H-(1,2,4)TRIAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Systematic Name English
S-TRIAZOLE-3-CARBOXYLIC ACID, 5-AMINO-, METHYL ESTER
Systematic Name English
1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 5-AMINO-, METHYL ESTER
Systematic Name English
3-AMINO-5-(METHOXYCARBONYL)-1,2,4-TRIAZOLE
Systematic Name English
Code System Code Type Description
FDA UNII
33BDL3S99S
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID10189936
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
NSC
139097
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
222-869-7
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
PUBCHEM
77201
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
CAS
3641-14-3
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY