N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Compound characteristics
| Compound ID: | G431-0343 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C20 H17 N5 O2 |
| Smiles: | Cc1cc(NCc2ccc3c(c2)OCO3)n2c(n1)nc(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.4612 |
| logD: | 3.3775 |
| logSw: | -3.5919 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.278 |
| InChI Key: | PJRULXXKRYNCAQ-UHFFFAOYSA-N |