| MolName | 6-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione |
| MolecularFormula | C9H8N6O2 |
| Smiles | O=C(C(N/N=C\c1ncccc1)=NN1)NC1=O |
| InChI | InChI=1S/C9H8N6O2/c16-8-7(14-15-9(17)12-8)13-11-5-6-3-1-2-4-10-6/h1-5H,(H,13,14)(H2,12,15,16,17) |
| InChIK | UXTPVFFBNCYOTL-UHFFFAOYSA-N |
| TotalMolweight | 232.203 |
| Molweight | 232.203 |
| MonoisotopicMass | 232.070874 |
| CLogP | -0.686 |
| CLogS | -2.398 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 176.13 |
| Relative PSA | 0.53625 |
| PolarSurfaceArea | 107.84 |
| Druglikeness | 5.6134 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione | 2 - 6-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione