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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10ClN3O2
Molecular Weight 263.68
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 5-chloro-3-phenyl-1,2,4-triazine-6-carboxylate

SMILES

CCOC(=O)C1=C(Cl)N=C(N=N1)C2=CC=CC=C2

InChI

InChIKey=IJRDJWBRHHGGNS-UHFFFAOYSA-N
InChI=1S/C12H10ClN3O2/c1-2-18-12(17)9-10(13)14-11(16-15-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H10ClN3O2
Molecular Weight 263.68
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 19:45:22 GMT 2025
Edited
by admin
on Tue Apr 01 19:45:22 GMT 2025
Record UNII
3VD6Q8HSH5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-382100
Preferred Name English
Ethyl 5-chloro-3-phenyl-1,2,4-triazine-6-carboxylate
Systematic Name English
5-Chloro-3-phenyl-1,2,4-triazine-6-carboxylic acid ethyl ester
Common Name English
1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 5-CHLORO-3-PHENYL-, ETHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
3VD6Q8HSH5
Created by admin on Tue Apr 01 19:45:22 GMT 2025 , Edited by admin on Tue Apr 01 19:45:22 GMT 2025
PRIMARY
PUBCHEM
343113
Created by admin on Tue Apr 01 19:45:22 GMT 2025 , Edited by admin on Tue Apr 01 19:45:22 GMT 2025
PRIMARY
NSC
382100
Created by admin on Tue Apr 01 19:45:22 GMT 2025 , Edited by admin on Tue Apr 01 19:45:22 GMT 2025
PRIMARY
CAS
37539-91-6
Created by admin on Tue Apr 01 19:45:22 GMT 2025 , Edited by admin on Tue Apr 01 19:45:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID50190980
Created by admin on Tue Apr 01 19:45:22 GMT 2025 , Edited by admin on Tue Apr 01 19:45:22 GMT 2025
PRIMARY