N-[(E)-pyridin-3-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Formula:C15H11N7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-3-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is a drug-like molecule.
| MolName | N-[(E)-pyridin-3-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine |
| MolecularFormula | C15H11N7 |
| Smiles | C(c1cnccc1)=N/Nc1nc([nH]c2c3cccc2)c3nn1 |
| InChI | InChI=1S/C15H11N7/c1-2-6-12-11(5-1)13-14(18-12)19-15(22-20-13)21-17-9-10-4-3-7-16-8-10/h1-9H,(H2,18,19,21,22) |
| InChIK | RSFGPHAYVGOZNX-UHFFFAOYSA-N |
| TotalMolweight | 289.301 |
| Molweight | 289.301 |
| MonoisotopicMass | 289.107593 |
| CLogP | 3.5791 |
| CLogS | -3.936 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 223.05 |
| Relative PSA | 0.36243 |
| PolarSurfaceArea | 91.74 |
| Druglikeness | 2.5594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - N-[(E)-pyridin-3-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine | 2 - N-[(E)-pyridin-3-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
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