N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]pyridine-3-carboxamide
Formula:C9H9N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]pyridine-3-carboxamide |
| MolecularFormula | C9H9N7O2 |
| Smiles | N/C(/c1nonc1N)=N\NC(c1cnccc1)=O |
| InChI | InChI=1S/C9H9N7O2/c10-7(6-8(11)16-18-15-6)13-14-9(17)5-2-1-3-12-4-5/h1-4H,(H2,10,13)(H2,11,16)(H,14,17) |
| InChIK | AQUXZFFUQNMTAY-UHFFFAOYSA-N |
| TotalMolweight | 247.217 |
| Molweight | 247.217 |
| MonoisotopicMass | 247.081773 |
| CLogP | -0.4059 |
| CLogS | -1.559 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 188.21 |
| Relative PSA | 0.60342 |
| PolarSurfaceArea | 145.31 |
| Druglikeness | 4.0145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]pyridine-3-carboxamide | 2 - N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off