1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0495 |
| Compound Name: | 1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C21 H17 N7 O2 |
| Smiles: | Cc1nnc2ccc(nn12)n1c2c(cn1)C(CC(N2)=O)c1ccc(cc1)OCC#C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.576 |
| logD: | 1.5757 |
| logSw: | -1.9548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.827 |
| InChI Key: | UARPCYPGJZCYGJ-INIZCTEOSA-N |