| SpectraBase Spectrum ID |
AomBTlrA940 |
| Name |
3-Amino-1-benzyl-7-methyl-[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 |
255.112010058 u |
| Formula |
C13H13N5O |
| InChI |
InChI=1S/C13H13N5O/c1-9-7-11(19)18-12(14)16-17(13(18)15-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,16) |
| InChIKey |
XIOPVDNBACFHJW-UHFFFAOYSA-N |
| Molecular Weight |
255.281 g/mol |
| SMILES |
C=12N(C(=NN2CC2=CC=CC=C2)N)C(C=C(N1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916722 |
![3-Amino-1-benzyl-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one](/api/spectrum/AomBTlrA940/structure.png?h=300&w=458 "3-Amino-1-benzyl-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one")
