| SpectraBase Spectrum ID |
E7kzihWU8GA |
| Name |
1-Phenyl-3-(2'-phenylethenyl)-7-(phenylamino)-1,2,4-triazolo[4,3-A]pyrimidin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.158960251 u |
| Formula |
C25H19N5O |
| InChI |
InChI=1S/C25H19N5O/c31-24-18-22(26-20-12-6-2-7-13-20)27-25-29(24)23(17-16-19-10-4-1-5-11-19)28-30(25)21-14-8-3-9-15-21/h1-18,26H/b17-16+ |
| InChIKey |
PVNXHKUNGFSCFR-WUKNDPDISA-N |
| Molecular Weight |
405.461 g/mol |
| SMILES |
C1=2N(C(\C=C\C3=CC=CC=C3)=NN1C=1C=CC=CC1)C(=O)C=C(N2)NC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928357 |
![1-Phenyl-3-(2'-phenylethenyl)-7-(phenylamino)-1,2,4-triazolo[4,3-a]pyrimidin-5-one](/api/spectrum/E7kzihWU8GA/structure.png?h=300&w=458 "1-Phenyl-3-(2'-phenylethenyl)-7-(phenylamino)-1,2,4-triazolo[4,3-a]pyrimidin-5-one")
