2-[5-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]pyrazine
Formula:C21H17N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[5-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]pyrazine is a drug-like molecule.
| MolName | 2-[5-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]pyrazine |
| MolecularFormula | C21H17N5 |
| Smiles | C(/C=C/c1ccccc1)n1nc(-c2ccccc2)nc1-c1nccnc1 |
| InChI | InChI=1S/C21H17N5/c1-3-8-17(9-4-1)10-7-15-26-21(19-16-22-13-14-23-19)24-20(25-26)18-11-5-2-6-12-18/h1-14,16H,15H2 |
| InChIK | HZHZUUIYLXEPAL-UHFFFAOYSA-N |
| TotalMolweight | 339.401 |
| Molweight | 339.401 |
| MonoisotopicMass | 339.148395 |
| CLogP | 3.0024 |
| CLogS | -4.697 |
| H Acceptors | 5 |
| TotalSurfaceArea | 277.04 |
| Relative PSA | 0.18319 |
| PolarSurfaceArea | 56.49 |
| Druglikeness | 3.134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 2-[5-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]pyrazine | 2 - 2-[5-phenyl-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]pyrazine
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