N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
Formula:C9H7N5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine |
| MolecularFormula | C9H7N5Cl2 |
| Smiles | Clc1cccc(Cl)c1/C=N\Nc1ncn[nH]1 |
| InChI | InChI=1S/C9H7Cl2N5/c10-7-2-1-3-8(11)6(7)4-13-15-9-12-5-14-16-9/h1-5H,(H2,12,14,15,16) |
| InChIK | XURYEIPSEFJVEZ-UHFFFAOYSA-N |
| TotalMolweight | 256.096 |
| Molweight | 256.096 |
| MonoisotopicMass | 255.007849 |
| CLogP | 4.1923 |
| CLogS | -3.842 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 187.17 |
| Relative PSA | 0.31469 |
| PolarSurfaceArea | 65.96 |
| Druglikeness | 3.5782 |
| 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 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
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