6-oxo-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyridazine-3-carboxamide
Formula:C11H9N5O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
6-oxo-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | 6-oxo-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyridazine-3-carboxamide |
| MolecularFormula | C11H9N5O2 |
| Smiles | O=C(C(C=C1)=NNC1=O)N/N=C/c1ncccc1 |
| InChI | InChI=1S/C11H9N5O2/c17-10-5-4-9(14-15-10)11(18)16-13-7-8-3-1-2-6-12-8/h1-7H,(H,15,17)(H,16,18) |
| InChIK | QVFDRESQFNDHST-UHFFFAOYSA-N |
| TotalMolweight | 243.225 |
| Molweight | 243.225 |
| MonoisotopicMass | 243.075625 |
| CLogP | -0.2511 |
| CLogS | -2.171 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 191.17 |
| Relative PSA | 0.43412 |
| PolarSurfaceArea | 95.81 |
| Druglikeness | 4.4477 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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