2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-7-(methylamino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-(cyclopropylmethyl)-7-(methylamino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-5209 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(methylamino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 236.31 |
| Molecular Formula: | C12 H20 N4 O |
| Smiles: | CNC1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0369 |
| logD: | -3.3308 |
| logSw: | -1.4072 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.551 |
| InChI Key: | ZAXPITODMOHKHJ-SNVBAGLBSA-N |