N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C15H11N7
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C15H11N7 |
| Smiles | C(c1ncccc1)=N\Nc(c1c2cccc1)nn1c2nnc1 |
| InChI | InChI=1S/C15H11N7/c1-2-7-13-12(6-1)14(21-22-10-18-20-15(13)22)19-17-9-11-5-3-4-8-16-11/h1-10H,(H,19,21) |
| InChIK | XFKUJAMCIKVVKJ-UHFFFAOYSA-N |
| TotalMolweight | 289.301 |
| Molweight | 289.301 |
| MonoisotopicMass | 289.107593 |
| CLogP | 2.9522 |
| CLogS | -4.466 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 224.13 |
| Relative PSA | 0.33373 |
| PolarSurfaceArea | 80.36 |
| Druglikeness | 4.3009 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine | 2 - N-[(Z)-pyridin-2-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
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