| MolName | (Z)-N-(1,2,4-triazol-4-yl)-1-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl]methanimine |
| MolecularFormula | C12H10N8 |
| Smiles | C(c1ccc(/C=N\n2cnnc2)cc1)=N\n1cnnc1 |
| InChI | InChI=1S/C12H10N8/c1-2-12(6-18-20-9-15-16-10-20)4-3-11(1)5-17-19-7-13-14-8-19/h1-10H |
| InChIK | VXYYGOUPBFKFRW-UHFFFAOYSA-N |
| TotalMolweight | 266.267 |
| Molweight | 266.267 |
| MonoisotopicMass | 266.102842 |
| CLogP | 0.797 |
| CLogS | -7.004 |
| H Acceptors | 8 |
| TotalSurfaceArea | 215.74 |
| Relative PSA | 0.37378 |
| PolarSurfaceArea | 86.14 |
| Druglikeness | 3.8706 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 6 |
| StereoCon |
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1 - (Z)-N-(1,2,4-triazol-4-yl)-1-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl]methanimine | 2 - (Z)-N-(1,2,4-triazol-4-yl)-1-[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl]methanimine