3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
Formula:C9H9N6F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.
| MolName | 3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine |
| MolecularFormula | C9H9N6F |
| Smiles | Nn1c(N/N=C\c(cccc2)c2F)nnc1 |
| InChI | InChI=1S/C9H9FN6/c10-8-4-2-1-3-7(8)5-12-14-9-15-13-6-16(9)11/h1-6H,11H2,(H,14,15) |
| InChIK | XRCZIWRMTIMYLG-UHFFFAOYSA-N |
| TotalMolweight | 220.21 |
| Molweight | 220.21 |
| MonoisotopicMass | 220.087272 |
| CLogP | 3.1036 |
| CLogS | -5.068 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 170.83 |
| Relative PSA | 0.3925 |
| PolarSurfaceArea | 81.12 |
| Druglikeness | 0.90714 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
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