[1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
Chemical Structure Depiction of
[1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
[1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
Compound characteristics
| Compound ID: | C801-0569 |
| Compound Name: | [1-(3,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile |
| Molecular Weight: | 279.3 |
| Molecular Formula: | C15 H13 N5 O |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(N(CC#N)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3186 |
| logD: | 2.3186 |
| logSw: | -2.7692 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.031 |
| InChI Key: | KMDFHBCGVIZENW-UHFFFAOYSA-N |