6-butyl-5-methyl-2-{[(2-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-butyl-5-methyl-2-{[(2-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-butyl-5-methyl-2-{[(2-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0177 |
| Compound Name: | 6-butyl-5-methyl-2-{[(2-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C18 H23 N5 O |
| Smiles: | CCCCC1=C(C)Nc2nc(NCc3ccccc3C)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.3002 |
| logD: | 4.265 |
| logSw: | -4.1242 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | CPPBPEJXUPGJHY-UHFFFAOYSA-N |