3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2)
Chemical Structure Depiction of
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2)
3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | C908-0548 |
| Compound Name: | 3-[2-(aminomethyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)propanamide--hydrogen chloride (1/2) |
| Molecular Weight: | 536.55 |
| Molecular Formula: | C26 H37 N7 O |
| Salt: | 2HCl |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNC(CCc2c(C)nc3nc(CN)nn3c2C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8384 |
| logD: | -0.4388 |
| logSw: | -2.4053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.959 |
| InChI Key: | GXLXASIAJLFVDR-UHFFFAOYSA-N |