7-(3,4-dimethylbenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(3,4-dimethylbenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(3,4-dimethylbenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0148 |
| Compound Name: | 7-(3,4-dimethylbenzoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C15 H18 N4 O2 |
| Smiles: | Cc1ccc(cc1C)C(N1CCN2C(C1)=NN(C)C2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7188 |
| logD: | 1.7188 |
| logSw: | -2.0004 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.525 |
| InChI Key: | NFZMROKBJAAFOD-UHFFFAOYSA-N |