3-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3,4-diamine
Formula:C13H12N6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.
| MolName | 3-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3,4-diamine |
| MolecularFormula | C13H12N6 |
| Smiles | Nn1c(N/N=C\c2cccc3ccccc23)nnc1 |
| InChI | InChI=1S/C13H12N6/c14-19-9-16-18-13(19)17-15-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,14H2,(H,17,18) |
| InChIK | OIDLMFANXLQYPW-UHFFFAOYSA-N |
| TotalMolweight | 252.28 |
| Molweight | 252.28 |
| MonoisotopicMass | 252.112344 |
| CLogP | 4.1972 |
| CLogS | -6.36 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 199.08 |
| Relative PSA | 0.3368 |
| PolarSurfaceArea | 81.12 |
| Druglikeness | 2.2471 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3,4-diamine
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