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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H15ClN4O
Molecular Weight 326.78
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-(3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-5-CHLOROPHENYL)(PHENYL)METHANONE

SMILES

CC1=NN=C(CN)N1C2=CC=C(Cl)C=C2C(=O)C3=CC=CC=C3

InChI

InChIKey=WWADXOXMCNJJKR-UHFFFAOYSA-N
InChI=1S/C17H15ClN4O/c1-11-20-21-16(10-19)22(11)15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-9H,10,19H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(2-(3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-5-CHLOROPHENYL)(PHENYL)METHANONE
Systematic Name English
METHANONE, (2-(3-(AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-5-CHLOROPHENYL)PHENYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
15567865
Created by admin on Sat Dec 16 10:20:18 GMT 2023 , Edited by admin on Sat Dec 16 10:20:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID201337266
Created by admin on Sat Dec 16 10:20:18 GMT 2023 , Edited by admin on Sat Dec 16 10:20:18 GMT 2023
PRIMARY
FDA UNII
YEU6X9E275
Created by admin on Sat Dec 16 10:20:18 GMT 2023 , Edited by admin on Sat Dec 16 10:20:18 GMT 2023
PRIMARY
CAS
125316-83-8
Created by admin on Sat Dec 16 10:20:18 GMT 2023 , Edited by admin on Sat Dec 16 10:20:18 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966