methyl N-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Chemical Structure Depiction of
methyl N-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
methyl N-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Compound characteristics
| Compound ID: | G395-0273 |
| Compound Name: | methyl N-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C18 H26 N6 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1nnc2ccc(nn12)N1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3803 |
| logD: | 1.3803 |
| logSw: | -1.9468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.924 |
| InChI Key: | TYRSRRONFBGMQF-KRWDZBQOSA-N |