4-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile
Formula:C19H22N8
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C19H22N8 |
| Smiles | N#Cc1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 |
| InChI | InChI=1S/C19H22N8/c20-13-15-5-7-16(8-6-15)14-21-25-17-22-18(26-9-1-2-10-26)24-19(23-17)27-11-3-4-12-27/h5-8,14H,1-4,9-12H2,(H,22,23,24,25) |
| InChIK | AOTOIIMEYCWYQP-UHFFFAOYSA-N |
| TotalMolweight | 362.44 |
| Molweight | 362.44 |
| MonoisotopicMass | 362.196742 |
| CLogP | 5.0801 |
| CLogS | -5.552 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 290.91 |
| Relative PSA | 0.26311 |
| PolarSurfaceArea | 93.33 |
| Druglikeness | -0.029882 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 4-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile | 2 - 4-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile
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