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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12ClN3O
Molecular Weight 237.685
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDL-27266

SMILES

CCN1C(=O)N(C)N=C1C2=CC=C(Cl)C=C2

InChI

InChIKey=HXPJLBHKHCQJBB-UHFFFAOYSA-N
InChI=1S/C11H12ClN3O/c1-3-15-10(13-14(2)11(15)16)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H12ClN3O
Molecular Weight 237.685
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 22:45:51 GMT 2025
Edited
by admin
on Tue Apr 01 22:45:51 GMT 2025
Record UNII
6S2K4J17Q5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDL-27266
Code English
3H-1,2,4-TRIAZOL-3-ONE, 5-(4-CHLOROPHENYL)-4-ETHYL-2,4-DIHYDRO-2-METHYL-
Preferred Name English
5-(4-CHLOROPHENYL)-4-ETHYL-2,4-DIHYDRO-2-METHYL-3H-1,2,4-TRIAZOL-3-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
6S2K4J17Q5
Created by admin on Tue Apr 01 22:45:51 GMT 2025 , Edited by admin on Tue Apr 01 22:45:51 GMT 2025
PRIMARY
CAS
116114-14-8
Created by admin on Tue Apr 01 22:45:51 GMT 2025 , Edited by admin on Tue Apr 01 22:45:51 GMT 2025
PRIMARY
PUBCHEM
60655
Created by admin on Tue Apr 01 22:45:51 GMT 2025 , Edited by admin on Tue Apr 01 22:45:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID20151280
Created by admin on Tue Apr 01 22:45:51 GMT 2025 , Edited by admin on Tue Apr 01 22:45:51 GMT 2025
PRIMARY