N-(3-methylphenyl)-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-(3-methylphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
N-(3-methylphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | D494-0566 |
| Compound Name: | N-(3-methylphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C21 H21 N7 O |
| Smiles: | Cc1cccc(c1)NC(CCNc1cc(C)nc2nc(c3cccnc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2344 |
| logD: | 2.0808 |
| logSw: | -2.4731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.671 |
| InChI Key: | CAQWMEDJNIQRMN-UHFFFAOYSA-N |