7-[(6-methoxypyridin-2-yl)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-[(6-methoxypyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(6-methoxypyridin-2-yl)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: | S636-0322 |
| Compound Name: | 7-[(6-methoxypyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 275.31 |
| Molecular Formula: | C13 H17 N5 O2 |
| Smiles: | COc1cccc(CN2CCC3=NNC(N3CC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1912 |
| logD: | 0.0702 |
| logSw: | -2.0014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.213 |
| InChI Key: | DGNPCGDGUFOELC-UHFFFAOYSA-N |