7-(1-methyl-1H-imidazole-5-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-(1-methyl-1H-imidazole-5-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(1-methyl-1H-imidazole-5-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: | S901-0951 |
| Compound Name: | 7-(1-methyl-1H-imidazole-5-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | CC(C)CN1C(N2CCN(C(C2=N1)c1ccccc1)C(c1cncn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5543 |
| logD: | 2.5306 |
| logSw: | -2.2689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.425 |
| InChI Key: | ZUSBKCLDNXJADV-QGZVFWFLSA-N |