5-{[4-(2-hydroxyethyl)piperazin-1-yl]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-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-{[4-(2-hydroxyethyl)piperazin-1-yl]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: | D412-0116 |
| Compound Name: | 5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 433.94 |
| Molecular Formula: | C20 H27 N7 O2 |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNc2nc3NC(CN4CCN(CC4)CCO)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.5773 |
| logD: | 0.5773 |
| logSw: | -1.7463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.159 |
| InChI Key: | HOZROSIEUAPIDX-UHFFFAOYSA-N |