7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0242 |
| Compound Name: | 7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 371.4 |
| Molecular Formula: | C17 H21 N7 O3 |
| Smiles: | Cc1cc(C)n(Cc2c(C(N3CCN4C(C3)=NN(C)C4=O)=O)noc2C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.0172 |
| logD: | 0.0168 |
| logSw: | -0.6451 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 85.492 |
| InChI Key: | ZJAFEFGGAWBKRR-UHFFFAOYSA-N |