3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
Formula:C9H8N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.
| MolName | 3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine |
| MolecularFormula | C9H8N6Cl2 |
| Smiles | Nn1c(N/N=C\c(c(Cl)ccc2)c2Cl)nnc1 |
| InChI | InChI=1S/C9H8Cl2N6/c10-7-2-1-3-8(11)6(7)4-13-15-9-16-14-5-17(9)12/h1-5H,12H2,(H,15,16) |
| InChIK | KHCYGOIWSWLPNL-UHFFFAOYSA-N |
| TotalMolweight | 271.111 |
| Molweight | 271.111 |
| MonoisotopicMass | 270.018748 |
| CLogP | 4.2148 |
| CLogS | -6.226 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 195.32 |
| Relative PSA | 0.34328 |
| PolarSurfaceArea | 81.12 |
| Druglikeness | 2.2175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
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