2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one--hydrogen chloride (1/1)
2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S636-6166 |
| Compound Name: | 2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one--hydrogen chloride (1/1) |
| Molecular Weight: | 246.74 |
| Molecular Formula: | C10 H18 N4 O |
| Salt: | HCl |
| Smiles: | CC(C)CN1C(N2CCNCCC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5821 |
| logD: | -2.3527 |
| logSw: | -0.9458 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.748 |
| InChI Key: | CLANKANNCSQEIQ-UHFFFAOYSA-N |