2-[(benzylamino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(benzylamino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(benzylamino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1522 |
| Compound Name: | 2-[(benzylamino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 373.46 |
| Molecular Formula: | C22 H23 N5 O |
| Smiles: | CC1=C(Cc2ccc(C)cc2)C(n2c(N1)nc(CNCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1979 |
| logD: | 1.8534 |
| logSw: | -3.2598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.008 |
| InChI Key: | AWFWJKCVBUMUQV-UHFFFAOYSA-N |