2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S336-0149 |
| Compound Name: | 2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 153.18 |
| Molecular Formula: | C7 H11 N3 O |
| Smiles: | C1CCC2=NNC(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0642 |
| logD: | 1.0577 |
| logSw: | -1.3502 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | LBVMECGJURCSOI-UHFFFAOYSA-N |