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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11N3
Molecular Weight 161.2037
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyltriazoline

SMILES

C(N1CCN=N1)C2=CC=CC=C2

InChI

InChIKey=DQQRMBAVSCPSJH-UHFFFAOYSA-N
InChI=1S/C9H11N3/c1-2-4-9(5-3-1)8-12-7-6-10-11-12/h1-5H,6-8H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Benzyltriazoline
Systematic Name English
1-benzyl-4,5-dihydrotriazole
Preferred Name English
1H-1,2,3-Triazole, 4,5-dihydro-1-(phenylmethyl)-
Systematic Name English
4,5-Dihydro-1-(phenylmethyl)-1H-1,2,3-triazole
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20170552
Created by admin on Mon Mar 31 21:55:03 GMT 2025 , Edited by admin on Mon Mar 31 21:55:03 GMT 2025
PRIMARY
FDA UNII
7BZJ7TQ42W
Created by admin on Mon Mar 31 21:55:03 GMT 2025 , Edited by admin on Mon Mar 31 21:55:03 GMT 2025
PRIMARY
CAS
17886-25-8
Created by admin on Mon Mar 31 21:55:03 GMT 2025 , Edited by admin on Mon Mar 31 21:55:03 GMT 2025
PRIMARY
PUBCHEM
155599
Created by admin on Mon Mar 31 21:55:03 GMT 2025 , Edited by admin on Mon Mar 31 21:55:03 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of 1-Benzyltriazoline
NIH
NCATS
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