N-[(Z)-benzylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C16H12N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C16H12N6 |
| Smiles | C(c1ccccc1)=N\Nc(c1c2cccc1)nn1c2nnc1 |
| InChI | InChI=1S/C16H12N6/c1-2-6-12(7-3-1)10-17-19-15-13-8-4-5-9-14(13)16-20-18-11-22(16)21-15/h1-11H,(H,19,21) |
| InChIK | JRMHVEWZIRCAQR-UHFFFAOYSA-N |
| TotalMolweight | 288.313 |
| Molweight | 288.313 |
| MonoisotopicMass | 288.112344 |
| CLogP | 3.8991 |
| CLogS | -5.237 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 225.37 |
| Relative PSA | 0.28322 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 4.3009 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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