7-amino-2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-amino-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-0901 |
| Compound Name: | 7-amino-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 222.29 |
| Molecular Formula: | C11 H18 N4 O |
| Smiles: | [H]NC1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5281 |
| logD: | -3.4647 |
| logSw: | -0.478 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.813 |
| InChI Key: | OSHPGRCDWVSTSM-SECBINFHSA-N |