5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazine
Formula:C9H8N6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazine is a drug-like molecule.
| MolName | 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazine |
| MolecularFormula | C9H8N6 |
| Smiles | NNc1nc([nH]c2c3cccc2)c3nn1 |
| InChI | InChI=1S/C9H8N6/c10-13-9-12-8-7(14-15-9)5-3-1-2-4-6(5)11-8/h1-4H,10H2,(H2,11,12,13,15) |
| InChIK | YLPMAXDBFIGJGF-UHFFFAOYSA-N |
| TotalMolweight | 200.205 |
| Molweight | 200.205 |
| MonoisotopicMass | 200.081044 |
| CLogP | 1.3612 |
| CLogS | -2.992 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 148.29 |
| Relative PSA | 0.49653 |
| PolarSurfaceArea | 92.51 |
| Druglikeness | -3.958 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazine | 2 - 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazine
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