5-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
Formula:C9H8N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one is a drug-like molecule.
| MolName | 5-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C9H8N6O |
| Smiles | O=C(NN=C1)N=C1N/N=C\c1ccncc1 |
| InChI | InChI=1S/C9H8N6O/c16-9-13-8(6-12-15-9)14-11-5-7-1-3-10-4-2-7/h1-6H,(H2,13,14,15,16) |
| InChIK | UYFSOLISTFHHPR-UHFFFAOYSA-N |
| TotalMolweight | 216.204 |
| Molweight | 216.204 |
| MonoisotopicMass | 216.075959 |
| CLogP | -0.0578 |
| CLogS | -2.671 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 171.68 |
| Relative PSA | 0.47449 |
| PolarSurfaceArea | 91.1 |
| Druglikeness | 3.7311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one | 2 - 5-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
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