N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:C14H12N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine |
| MolecularFormula | C14H12N6 |
| Smiles | C(/C=N\Nc(cc1)nn2c1nnc2)=C/c1ccccc1 |
| InChI | InChI=1S/C14H12N6/c1-2-5-12(6-3-1)7-4-10-15-17-13-8-9-14-18-16-11-20(14)19-13/h1-11H,(H,17,19) |
| InChIK | XCOJLYRENFEJFB-UHFFFAOYSA-N |
| TotalMolweight | 264.291 |
| Molweight | 264.291 |
| MonoisotopicMass | 264.112344 |
| CLogP | 2.723 |
| CLogS | -3.923 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 217.27 |
| Relative PSA | 0.29378 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 4.2127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| 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)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
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