2-(cyclopropylmethyl)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-(cyclopropylmethyl)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0395 |
| Compound Name: | 2-(cyclopropylmethyl)-7-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C20 H25 N7 O3 |
| Smiles: | Cc1cc(C)n(Cc2c(C(N3CCN4C(C3)=NN(CC3CC3)C4=O)=O)noc2C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9559 |
| logD: | 0.9556 |
| logSw: | -1.2154 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 86.065 |
| InChI Key: | LNCKVWRACNCPNR-UHFFFAOYSA-N |