N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-0981 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C22 H21 N7 O3 |
| Smiles: | C(Cc1nnc2ccc(NCc3cccnc3)nn12)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8207 |
| logD: | 0.7915 |
| logSw: | -1.2623 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.28 |
| InChI Key: | GUWYOAPIFHVODM-UHFFFAOYSA-N |