3-N-[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazole-3,4-diamine
Formula:C7H8N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-N-[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.
| MolName | 3-N-[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazole-3,4-diamine |
| MolecularFormula | C7H8N6O |
| Smiles | Nn1c(N/N=C\c2ccco2)nnc1 |
| InChI | InChI=1S/C7H8N6O/c8-13-5-10-12-7(13)11-9-4-6-2-1-3-14-6/h1-5H,8H2,(H,11,12) |
| InChIK | KOGMMUVASPFHGQ-UHFFFAOYSA-N |
| TotalMolweight | 192.182 |
| Molweight | 192.182 |
| MonoisotopicMass | 192.075959 |
| CLogP | 2.1915 |
| CLogS | -4.436 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 154.17 |
| Relative PSA | 0.52643 |
| PolarSurfaceArea | 94.26 |
| Druglikeness | 1.6298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-N-[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazole-3,4-diamine
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