2-(2-methylpropyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-(2-methylpropyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-(2-methylpropyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0970 |
| Compound Name: | 2-(2-methylpropyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | CC(C)CN1C(N2CCN(C(C2=N1)c1ccccc1)C(c1cccn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.19 |
| logD: | 4.19 |
| logSw: | -4.074 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.596 |
| InChI Key: | JLQNVZIZTTYIQL-GOSISDBHSA-N |