(E)-1-(4-piperidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
Formula:C14H17N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-piperidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(4-piperidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C14H17N5 |
| Smiles | C(CC1)CCN1c1ccc(/C=N/n2cnnc2)cc1 |
| InChI | InChI=1S/C14H17N5/c1-2-8-18(9-3-1)14-6-4-13(5-7-14)10-17-19-11-15-16-12-19/h4-7,10-12H,1-3,8-9H2 |
| InChIK | XMXQMQRZDRJBKN-UHFFFAOYSA-N |
| TotalMolweight | 255.324 |
| Molweight | 255.324 |
| MonoisotopicMass | 255.148395 |
| CLogP | 2.0613 |
| CLogS | -5.302 |
| H Acceptors | 5 |
| TotalSurfaceArea | 210.1 |
| Relative PSA | 0.20881 |
| PolarSurfaceArea | 46.31 |
| Druglikeness | 3.6725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (E)-1-(4-piperidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (E)-1-(4-piperidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
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