5,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine
Formula:C21H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine is not a drug-like molecule.
| MolName | 5,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine |
| MolecularFormula | C21H16N6 |
| Smiles | C(c1cnccc1)=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)nn1 |
| InChI | InChI=1S/C21H16N6/c1-3-9-17(10-4-1)19-20(18-11-5-2-6-12-18)25-27-21(24-19)26-23-15-16-8-7-13-22-14-16/h1-15H,(H,24,26,27) |
| InChIK | NWPRLTNIXGAWLS-UHFFFAOYSA-N |
| TotalMolweight | 352.4 |
| Molweight | 352.4 |
| MonoisotopicMass | 352.143644 |
| CLogP | 5.3178 |
| CLogS | -4.726 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 283.8 |
| Relative PSA | 0.23555 |
| PolarSurfaceArea | 75.95 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 5,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine | 2 - 5,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazin-3-amine
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