2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0145 |
| Compound Name: | 2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 154.17 |
| Molecular Formula: | C6 H10 N4 O |
| Smiles: | [H]N1CCC2=NNC(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7606 |
| logD: | -2.9807 |
| logSw: | 0.1357 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.078 |
| InChI Key: | NXARAJDGBBUYRB-UHFFFAOYSA-N |