2-methyl-7-(methylamino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-methyl-7-(methylamino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-methyl-7-(methylamino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-5169 |
| Compound Name: | 2-methyl-7-(methylamino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 196.25 |
| Molecular Formula: | C9 H16 N4 O |
| Smiles: | CNC1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0982 |
| logD: | -4.2695 |
| logSw: | -0.6581 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.978 |
| InChI Key: | GGPVYXFBIKJTGX-SSDOTTSWSA-N |