| MolName | (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one |
| MolecularFormula | C25H19N5O |
| Smiles | O=C1NNC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C25H19N5O/c31-25-22(26-24(27-28-25)19-12-6-2-7-13-19)16-20-17-30(21-14-8-3-9-15-21)29-23(20)18-10-4-1-5-11-18/h1-17H,(H,26,27)(H,28,31) |
| InChIK | QRTBDEVRWUZRFP-UHFFFAOYSA-N |
| TotalMolweight | 405.46 |
| Molweight | 405.46 |
| MonoisotopicMass | 405.15896 |
| CLogP | 2.0676 |
| CLogS | -5.533 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 315.35 |
| Relative PSA | 0.2071 |
| PolarSurfaceArea | 71.31 |
| Druglikeness | 5.14 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one | 2 - (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one