7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2-methyl-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-methyl-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-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5047 |
| Compound Name: | 7-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C14 H18 N6 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1cc(C2CC2)[nH]n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8485 |
| logD: | 0.8485 |
| logSw: | -1.6079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.936 |
| InChI Key: | CDFXBFVJYMGRFY-UHFFFAOYSA-N |