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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H5BrN4
Molecular Weight 249.067
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

BrC1=CC=C(C=C1)C2=NNN=C2C#N

InChI

InChIKey=SKCRCHJZYFYITH-UHFFFAOYSA-N
InChI=1S/C9H5BrN4/c10-7-3-1-6(2-4-7)9-8(5-11)12-14-13-9/h1-4H,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C9H5BrN4
Molecular Weight 249.067
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 Wed Apr 02 06:43:58 GMT 2025
Edited
by admin
on Wed Apr 02 06:43:58 GMT 2025
Record UNII
PD23P37RMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-1,2,3-Triazole-5-carbonitrile, 4-(4-bromophenyl)-
Preferred Name English
4-(4-Bromophenyl)-1H-1,2,3-triazole-5-carbonitrile
Systematic Name English
5-(4-bromophenyl)-2H-1,2,3-triazole-4-carbonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
PD23P37RMJ
Created by admin on Wed Apr 02 06:43:58 GMT 2025 , Edited by admin on Wed Apr 02 06:43:58 GMT 2025
PRIMARY
PUBCHEM
6411478
Created by admin on Wed Apr 02 06:43:58 GMT 2025 , Edited by admin on Wed Apr 02 06:43:58 GMT 2025
PRIMARY
CAS
1119392-12-9
Created by admin on Wed Apr 02 06:43:58 GMT 2025 , Edited by admin on Wed Apr 02 06:43:58 GMT 2025
PRIMARY