4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzonitrile
Formula:C21H26N8
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C21H26N8 |
| Smiles | N#Cc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 |
| InChI | InChI=1S/C21H26N8/c22-15-17-7-9-18(10-8-17)16-23-27-19-24-20(28-11-3-1-4-12-28)26-21(25-19)29-13-5-2-6-14-29/h7-10,16H,1-6,11-14H2,(H,24,25,26,27) |
| InChIK | KRPZVCGQQKOQMT-UHFFFAOYSA-N |
| TotalMolweight | 390.493 |
| Molweight | 390.493 |
| MonoisotopicMass | 390.228042 |
| CLogP | 5.7641 |
| CLogS | -6.092 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 318.43 |
| Relative PSA | 0.24037 |
| PolarSurfaceArea | 93.33 |
| Druglikeness | -1.408 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzonitrile | 2 - 4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzonitrile
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