5-amino-1-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-1-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazole-4-carbonitrile
5-amino-1-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-8227 |
| Compound Name: | 5-amino-1-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 252.23 |
| Molecular Formula: | C12 H8 N6 O |
| Smiles: | C(c1cnn(C2C(Nc3ccccc3N=2)=O)c1N)#N |
| Stereo: | ACHIRAL |
| logP: | 0.4785 |
| logD: | 0.4642 |
| logSw: | -2.1834 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.915 |
| InChI Key: | YAHGHHSMJFBJTL-UHFFFAOYSA-N |