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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O
Molecular Weight 279.3364
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-Ethoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole

SMILES

CCOC1=CC(=CC=C1)C2=NN=C(N2)C3=C(C)C=CC=C3

InChI

InChIKey=RTUMUTCJTDAUBX-UHFFFAOYSA-N
InChI=1S/C17H17N3O/c1-3-21-14-9-6-8-13(11-14)16-18-17(20-19-16)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C17H17N3O
Molecular Weight 279.3364
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 22:02:23 GMT 2025
Edited
by admin
on Mon Mar 31 22:02:23 GMT 2025
Record UNII
K9N6Y586RU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
s-Triazole, 5-(m-ethoxyphenyl)-3-(o-tolyl)-
Preferred Name English
3-(3-Ethoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
Systematic Name English
1H-1,2,4-Triazole, 3-(3-ethoxyphenyl)-5-(2-methylphenyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00988814
Created by admin on Mon Mar 31 22:02:23 GMT 2025 , Edited by admin on Mon Mar 31 22:02:23 GMT 2025
PRIMARY
PUBCHEM
135296
Created by admin on Mon Mar 31 22:02:23 GMT 2025 , Edited by admin on Mon Mar 31 22:02:23 GMT 2025
PRIMARY
FDA UNII
K9N6Y586RU
Created by admin on Mon Mar 31 22:02:23 GMT 2025 , Edited by admin on Mon Mar 31 22:02:23 GMT 2025
PRIMARY
CAS
69095-80-3
Created by admin on Mon Mar 31 22:02:23 GMT 2025 , Edited by admin on Mon Mar 31 22:02:23 GMT 2025
PRIMARY