5-[(piperidin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(piperidin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(piperidin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0411 |
| Compound Name: | 5-[(piperidin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C21 H28 N6 O |
| Smiles: | CC(C)c1ccc(CNc2nc3NC(CN4CCCCC4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1441 |
| logD: | 3.1441 |
| logSw: | -3.2218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.713 |
| InChI Key: | TWFWLZNWAOPMIF-UHFFFAOYSA-N |