2-{[(4-methylphenyl)methyl]amino}-5-{[(propan-2-yl)amino]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-{[(propan-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-{[(4-methylphenyl)methyl]amino}-5-{[(propan-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D412-0103 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]amino}-5-{[(propan-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 362.86 |
| Molecular Formula: | C17 H22 N6 O |
| Salt: | HCl |
| Smiles: | CC(C)NCC1=CC(n2c(N1)nc(NCc1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7049 |
| logD: | -0.5198 |
| logSw: | -2.1954 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.783 |
| InChI Key: | JOYGXXLADRLZBJ-UHFFFAOYSA-N |