7-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0909 |
| Compound Name: | 7-(6-methoxypyridine-3-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | CC(C)CN1C(N2CCN(C(C2=N1)c1ccccc1)C(c1ccc(nc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8008 |
| logD: | 3.8008 |
| logSw: | -3.9153 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.761 |
| InChI Key: | QTMWLKAFBBPXPY-LJQANCHMSA-N |