N-(2-methylpropyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(2-methylpropyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
N-(2-methylpropyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | D494-0626 |
| Compound Name: | N-(2-methylpropyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide |
| Molecular Weight: | 353.43 |
| Molecular Formula: | C18 H23 N7 O |
| Smiles: | CC(C)CNC(CCNc1cc(C)nc2nc(c3cccnc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0649 |
| logD: | 0.9113 |
| logSw: | -1.3146 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.265 |
| InChI Key: | PYDACOPKYNLZDV-UHFFFAOYSA-N |