N,4-bis[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-amine
Formula:C12H10N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N,4-bis[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-amine is a drug-like molecule.
| MolName | N,4-bis[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-amine |
| MolecularFormula | C12H10N6O2 |
| Smiles | C(c1ccco1)=N\Nc1nncn1/N=C\c1ccco1 |
| InChI | InChI=1S/C12H10N6O2/c1-3-10(19-5-1)7-13-16-12-17-14-9-18(12)15-8-11-4-2-6-20-11/h1-9H,(H,16,17) |
| InChIK | IFBKXPRBTVLHIR-UHFFFAOYSA-N |
| TotalMolweight | 270.251 |
| Molweight | 270.251 |
| MonoisotopicMass | 270.086524 |
| CLogP | 3.1565 |
| CLogS | -5.478 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 219.86 |
| Relative PSA | 0.41622 |
| PolarSurfaceArea | 93.74 |
| Druglikeness | 4.0677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N,4-bis[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-amine | 2 - N,4-bis[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-amine
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