5,7-dimethyl-3-sulfanyl-1,2,4a,5,7,7a-hexahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
Chemical Structure Depiction of
5,7-dimethyl-3-sulfanyl-1,2,4a,5,7,7a-hexahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
5,7-dimethyl-3-sulfanyl-1,2,4a,5,7,7a-hexahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
Compound characteristics
| Compound ID: | 8009-8901 |
| Compound Name: | 5,7-dimethyl-3-sulfanyl-1,2,4a,5,7,7a-hexahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one |
| Molecular Weight: | 201.25 |
| Molecular Formula: | C6 H11 N5 O S |
| Smiles: | CN1C2C(N=C(NN2)S)N(C)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.9148 |
| logD: | -3.8568 |
| logSw: | -0.3634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 56.205 |
| InChI Key: | WSVWXILNLFZWRU-UHFFFAOYSA-N |