2-methyl-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-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0677 |
| Compound Name: | 2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 168.19 |
| Molecular Formula: | C7 H12 N4 O |
| Smiles: | [H]N1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7347 |
| logD: | -3.6694 |
| logSw: | 0.1856 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.427 |
| InChI Key: | DLPULPXLALGJHQ-UHFFFAOYSA-N |