6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0122 |
| Compound Name: | 6-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 240.26 |
| Molecular Formula: | C13 H12 N4 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)ncn2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5625 |
| logD: | 0.0411 |
| logSw: | -0.9475 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.477 |
| InChI Key: | ASTFQNJGYHVFOL-UHFFFAOYSA-N |