2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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: | S636-1658 |
| Compound Name: | 2-(cyclopropylmethyl)-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: | 244.72 |
| Molecular Formula: | C10 H16 N4 O |
| Salt: | HCl |
| Smiles: | [H]N1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2041 |
| logD: | -2.7307 |
| logSw: | -0.7048 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46 |
| InChI Key: | MLZULNNDJLVQHT-UHFFFAOYSA-N |