4-(2,5-dimethylphenyl)-3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,5-dimethylphenyl)-3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0886 |
| Compound Name: | 4-(2,5-dimethylphenyl)-3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C21 H21 N7 O |
| Smiles: | Cc1ccc(C)c(c1)C1CC(Nc2c1c(C)nn2c1ccc2nnc(C)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4005 |
| logD: | 2.3972 |
| logSw: | -2.8489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.762 |
| InChI Key: | KPQKMGKACVYSIF-INIZCTEOSA-N |