2-{[(4-methylphenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-methylphenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0102 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 362.86 |
| Molecular Formula: | C17 H22 N6 O |
| Salt: | HCl |
| Smiles: | CCCNCC1=CC(n2c(N1)nc(NCc1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9852 |
| logD: | 0.1012 |
| logSw: | -2.3857 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.86 |
| InChI Key: | ITXVRBVEJLLVSP-UHFFFAOYSA-N |