7-amino-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-amino-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-amino-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-0145 |
| Compound Name: | 7-amino-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 168.19 |
| Molecular Formula: | C7 H12 N4 O |
| Smiles: | [H]NC1CCC2=NNC(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4366 |
| logD: | -4.4294 |
| logSw: | -0.6717 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.891 |
| InChI Key: | CZLDWNKBFHYKJK-RXMQYKEDSA-N |