| SpectraBase Spectrum ID |
7QTlZIBsEeb |
| Name |
3-(Benzylamino)-1-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[4,3-A]pyrimidin-5(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.115044579 u |
| Formula |
C19H14F3N5O |
| InChI |
InChI=1S/C19H14F3N5O/c20-19(21,22)15-11-16(28)26-17(23-12-13-7-3-1-4-8-13)25-27(18(26)24-15)14-9-5-2-6-10-14/h1-11H,12H2,(H,23,25) |
| InChIKey |
RKFIJECNPFTJNI-UHFFFAOYSA-N |
| Molecular Weight |
385.350 g/mol |
| SMILES |
C1=2N(C(NCC3=CC=CC=C3)=NN1C1=CC=CC=C1)C(=O)C=C(N2)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819922 |
![3-(Benzylamino)-1-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one](/api/spectrum/7QTlZIBsEeb/structure.png?h=300&w=458 "3-(Benzylamino)-1-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one")
