7-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-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-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-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: | S636-5070 |
| Compound Name: | 7-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 276.34 |
| Molecular Formula: | C13 H20 N6 O |
| Smiles: | Cc1cc(CN2CCC3=NN(C)C(N3CC2)=O)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.1904 |
| logD: | -2.1013 |
| logSw: | -0.4217 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.81 |
| InChI Key: | UGYCSLVJBXABGY-UHFFFAOYSA-N |