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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H13N3
Molecular Weight 247.2945
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6-Dihydro-2-phenyl[1,2,4]triazolo[5,1-a]isoquinoline

SMILES

C1CC2=C(C=CC=C2)C3=NC(=NN13)C4=CC=CC=C4

InChI

InChIKey=JYELTQXYQDVIIM-UHFFFAOYSA-N
InChI=1S/C16H13N3/c1-2-7-13(8-3-1)15-17-16-14-9-5-4-6-12(14)10-11-19(16)18-15/h1-9H,10-11H2

HIDE SMILES / InChI

Molecular Formula C16H13N3
Molecular Weight 247.2945
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 23:03:50 GMT 2025
Edited
by admin
on Mon Mar 31 23:03:50 GMT 2025
Record UNII
4VKU3WD953
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,6-Dihydro-2-phenyl[1,2,4]triazolo[5,1-a]isoquinoline
Systematic Name English
[1,2,4]Triazolo[5,1-a]isoquinoline, 5,6-dihydro-2-phenyl-
Preferred Name English
Code System Code Type Description
FDA UNII
4VKU3WD953
Created by admin on Mon Mar 31 23:03:50 GMT 2025 , Edited by admin on Mon Mar 31 23:03:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID60203858
Created by admin on Mon Mar 31 23:03:50 GMT 2025 , Edited by admin on Mon Mar 31 23:03:50 GMT 2025
PRIMARY
PUBCHEM
134397
Created by admin on Mon Mar 31 23:03:50 GMT 2025 , Edited by admin on Mon Mar 31 23:03:50 GMT 2025
PRIMARY
CAS
55308-57-1
Created by admin on Mon Mar 31 23:03:50 GMT 2025 , Edited by admin on Mon Mar 31 23:03:50 GMT 2025
PRIMARY