| SpectraBase Spectrum ID |
7zOPLAc99gG |
| Name |
2-(4-Chlorophenyl)-1,2-dihydro-[1,2,4]triazolo[1,5-A][1,3,5]triazin-7-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.057722014 u |
| Formula |
C10H9ClN6 |
| InChI |
InChI=1S/C10H9ClN6/c11-7-3-1-6(2-4-7)8-15-10-14-5-13-9(12)17(10)16-8/h1-5,8,16H,(H2,12,13,14,15) |
| InChIKey |
FZPHKECYCDNIIP-UHFFFAOYSA-N |
| Molecular Weight |
248.677 g/mol |
| SMILES |
C1=2N(NC(N2)C=2C=CC(=CC2)Cl)C(=NC=N1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823708 |
![2-(4-Chlorophenyl)-1,2-dihydro-[1,2,4]triazolo[1,5-A][1,3,5]triazin-7-amine](/api/spectrum/7zOPLAc99gG/structure.png?h=300&w=458 "2-(4-Chlorophenyl)-1,2-dihydro-[1,2,4]triazolo[1,5-A][1,3,5]triazin-7-amine")
