7-(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-(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-(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: | S636-0103 |
| Compound Name: | 7-(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: | 248.24 |
| Molecular Formula: | C10 H12 N6 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(c1cc[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4158 |
| logD: | -0.4222 |
| logSw: | -1.5179 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.175 |
| InChI Key: | QPECTLUYDGVHDL-UHFFFAOYSA-N |