2-methyl-7-(4-phenylbutanoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-methyl-7-(4-phenylbutanoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-methyl-7-(4-phenylbutanoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0174 |
| Compound Name: | 2-methyl-7-(4-phenylbutanoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 300.36 |
| Molecular Formula: | C16 H20 N4 O2 |
| Smiles: | CN1C(N2CCN(CC2=N1)C(CCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0744 |
| logD: | 2.074 |
| logSw: | -2.2073 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.998 |
| InChI Key: | VUUIXCLTNMWMSR-UHFFFAOYSA-N |