7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-4974 |
| Compound Name: | 7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 288.31 |
| Molecular Formula: | C13 H16 N6 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(c1cc(C2CC2)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8225 |
| logD: | 0.8161 |
| logSw: | -1.7626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.586 |
| InChI Key: | VAMHZYPGZMYNMI-UHFFFAOYSA-N |