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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8N4
Molecular Weight 184.1973
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

SMILES

N#CC1=CC=C(CN2C=NC=N2)C=C1

InChI

InChIKey=HQLYWHSJALKYOV-UHFFFAOYSA-N
InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-(4-Cyanobenzyl)-1,2,4-triazole
Preferred Name English
4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile
Systematic Name English
4-1-(1,2,4-Triazolyl)-methyl-benzonitrile
Systematic Name English
Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-
Systematic Name English
4-2[1-(1,2,4-Triazol-1-yl)methyl]benzonitrile
Systematic Name English
4-[(1H-1,2,4-Triazol-1-yl)methyl]benzonitrile
Systematic Name English
4-[(1,2,4-Triazol-1-yl)methyl]benzonitrile
Systematic Name English
Code System Code Type Description
CAS
112809-25-3
Created by admin on Wed Apr 02 17:30:33 GMT 2025 , Edited by admin on Wed Apr 02 17:30:33 GMT 2025
PRIMARY
FDA UNII
BPS74SKX8K
Created by admin on Wed Apr 02 17:30:33 GMT 2025 , Edited by admin on Wed Apr 02 17:30:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID50920906
Created by admin on Wed Apr 02 17:30:33 GMT 2025 , Edited by admin on Wed Apr 02 17:30:33 GMT 2025
PRIMARY
PUBCHEM
7537616
Created by admin on Wed Apr 02 17:30:33 GMT 2025 , Edited by admin on Wed Apr 02 17:30:33 GMT 2025
PRIMARY
NIH
NCATS
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