N-[(Z)-benzylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:C12H10N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| MolecularFormula | C12H10N6 |
| Smiles | C(c1ccccc1)=N\Nc(cc1)nn2c1nnc2 |
| InChI | InChI=1S/C12H10N6/c1-2-4-10(5-3-1)8-13-15-11-6-7-12-16-14-9-18(12)17-11/h1-9H,(H,15,17) |
| InChIK | WISWUCWZCKWEDR-UHFFFAOYSA-N |
| TotalMolweight | 238.253 |
| Molweight | 238.253 |
| MonoisotopicMass | 238.096694 |
| CLogP | 2.7047 |
| CLogS | -3.631 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 190.77 |
| Relative PSA | 0.33459 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 4.2127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | 2 - N-[(Z)-benzylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
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