2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Formula:C11H9N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide |
| MolecularFormula | C11H9N5OS |
| Smiles | NC(CSc1nnc(c(cccc2)c2[nH]2)c2n1)=O |
| InChI | InChI=1S/C11H9N5OS/c12-8(17)5-18-11-14-10-9(15-16-11)6-3-1-2-4-7(6)13-10/h1-4H,5H2,(H2,12,17)(H,13,14,16) |
| InChIK | SCVWHXMRMNNRGK-UHFFFAOYSA-N |
| TotalMolweight | 259.292 |
| Molweight | 259.292 |
| MonoisotopicMass | 259.05278 |
| CLogP | 0.5714 |
| CLogS | -3.327 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 185.83 |
| Relative PSA | 0.49884 |
| PolarSurfaceArea | 122.85 |
| Druglikeness | 0.71137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide | 2 - 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off