5-[(butylamino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[(butylamino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-[(butylamino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D412-0101 |
| Compound Name: | 5-[(butylamino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 376.89 |
| Molecular Formula: | C18 H24 N6 O |
| Salt: | HCl |
| Smiles: | CCCCNCC1=CC(n2c(N1)nc(NCc1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1808 |
| logD: | 0.3432 |
| logSw: | -2.7681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.86 |
| InChI Key: | PVAHKSITIKWCPO-UHFFFAOYSA-N |