N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:C11H9N7
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| MolecularFormula | C11H9N7 |
| Smiles | C(c1ncccc1)=N\Nc(cc1)nn2c1nnc2 |
| InChI | InChI=1S/C11H9N7/c1-2-6-12-9(3-1)7-13-15-10-4-5-11-16-14-8-18(11)17-10/h1-8H,(H,15,17) |
| InChIK | QQWBRKVLLPFWAN-UHFFFAOYSA-N |
| TotalMolweight | 239.241 |
| Molweight | 239.241 |
| MonoisotopicMass | 239.091943 |
| CLogP | 1.7578 |
| CLogS | -2.86 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 189.53 |
| Relative PSA | 0.39466 |
| PolarSurfaceArea | 80.36 |
| Druglikeness | 4.2127 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | 2 - N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
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