N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:C19H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| MolecularFormula | C19H16N6O |
| Smiles | C(c1ccccc1)Oc1c(/C=N\Nc(cc2)nn3c2nnc3)cccc1 |
| InChI | InChI=1S/C19H16N6O/c1-2-6-15(7-3-1)13-26-17-9-5-4-8-16(17)12-20-22-18-10-11-19-23-21-14-25(19)24-18/h1-12,14H,13H2,(H,22,24) |
| InChIK | FFZHEHXMFSSXOV-UHFFFAOYSA-N |
| TotalMolweight | 344.377 |
| Molweight | 344.377 |
| MonoisotopicMass | 344.138559 |
| CLogP | 4.0528 |
| CLogS | -4.972 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.29 |
| Relative PSA | 0.26917 |
| PolarSurfaceArea | 76.7 |
| Druglikeness | 3.7025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | 2 - N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
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