(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-pyridin-4-ylprop-2-enenitrile
Formula:C20H18N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-pyridin-4-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-pyridin-4-ylprop-2-enenitrile |
| MolecularFormula | C20H18N6O |
| Smiles | N#C/C(/c(n1-c2ccccc2)nnc1N1CCOCC1)=C\c1ccncc1 |
| InChI | InChI=1S/C20H18N6O/c21-15-17(14-16-6-8-22-9-7-16)19-23-24-20(25-10-12-27-13-11-25)26(19)18-4-2-1-3-5-18/h1-9,14H,10-13H2 |
| InChIK | QEOCLQJILUZSRC-UHFFFAOYSA-N |
| TotalMolweight | 358.404 |
| Molweight | 358.404 |
| MonoisotopicMass | 358.154209 |
| CLogP | 1.492 |
| CLogS | -4.731 |
| H Acceptors | 7 |
| TotalSurfaceArea | 286.52 |
| Relative PSA | 0.23346 |
| PolarSurfaceArea | 79.86 |
| Druglikeness | -1.048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-pyridin-4-ylprop-2-enenitrile | 2 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-pyridin-4-ylprop-2-enenitrile
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