3-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
Formula:C16H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.
| MolName | 3-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine |
| MolecularFormula | C16H16N6O |
| Smiles | Nn1c(N/N=C\c(cc2)ccc2OCc2ccccc2)nnc1 |
| InChI | InChI=1S/C16H16N6O/c17-22-12-19-21-16(22)20-18-10-13-6-8-15(9-7-13)23-11-14-4-2-1-3-5-14/h1-10,12H,11,17H2,(H,20,21) |
| InChIK | GVTJHAYOMLLZAB-UHFFFAOYSA-N |
| TotalMolweight | 308.344 |
| Molweight | 308.344 |
| MonoisotopicMass | 308.138559 |
| CLogP | 4.3509 |
| CLogS | -6.095 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 248 |
| Relative PSA | 0.31069 |
| PolarSurfaceArea | 90.35 |
| Druglikeness | 1.5478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
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