2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1311 |
| Compound Name: | 2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 309.37 |
| Molecular Formula: | C17 H19 N5 O |
| Smiles: | CC1=C(C)Nc2nc(CN3CCc4ccccc4C3)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.9863 |
| logD: | -0.2839 |
| logSw: | -2.4368 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.908 |
| InChI Key: | XBNQGCQSKUHVLG-UHFFFAOYSA-N |