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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H15N3O2
Molecular Weight 233.2664
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one

SMILES

CCC1=NNC(=O)N1CCOC2=CC=CC=C2

InChI

InChIKey=STUGRPIYVZOYAH-UHFFFAOYSA-N
InChI=1S/C12H15N3O2/c1-2-11-13-14-12(16)15(11)8-9-17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16)

HIDE SMILES / InChI

Molecular Formula C12H15N3O2
Molecular Weight 233.2664
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 Mon Mar 31 18:14:45 GMT 2025
Edited
by admin
on Mon Mar 31 18:14:45 GMT 2025
Record UNII
QJ259R782X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one
Systematic Name English
4-(2-Phenoxyethyl)-5-ethyl-1,2,4-triazol-3-one
Preferred Name English
3H-1,2,4-Triazol-3-one, 5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-
Systematic Name English
Code System Code Type Description
CAS
95885-13-5
Created by admin on Mon Mar 31 18:14:45 GMT 2025 , Edited by admin on Mon Mar 31 18:14:45 GMT 2025
PRIMARY
FDA UNII
QJ259R782X
Created by admin on Mon Mar 31 18:14:45 GMT 2025 , Edited by admin on Mon Mar 31 18:14:45 GMT 2025
PRIMARY
PUBCHEM
56973
Created by admin on Mon Mar 31 18:14:45 GMT 2025 , Edited by admin on Mon Mar 31 18:14:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID50275620
Created by admin on Mon Mar 31 18:14:45 GMT 2025 , Edited by admin on Mon Mar 31 18:14:45 GMT 2025
PRIMARY