2-{[(4-methylphenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-{[(4-methylphenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D412-0110 |
Compound Name: | 2-{[(4-methylphenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
Molecular Weight: | 403.91 |
Molecular Formula: | C19 H25 N7 O |
Salt: | HCl |
Smiles: | Cc1ccc(CNc2nc3NC(CN4CCN(C)CC4)=CC(n3n2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 1.0356 |
logD: | 1.0356 |
logSw: | -2.0899 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.19 |
InChI Key: | ZJCPHFLEZOZRKN-UHFFFAOYSA-N |