N-[(Z)-furan-2-ylmethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
Formula:C20H15N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine is not a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine |
| MolecularFormula | C20H15N5O |
| Smiles | C(c1ccco1)=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 |
| InChI | InChI=1S/C20H15N5O/c1-3-8-15(9-4-1)18-19(16-10-5-2-6-11-16)23-25-20(22-18)24-21-14-17-12-7-13-26-17/h1-14H,(H,22,24,25) |
| InChIK | AYCFUROXFANGDG-UHFFFAOYSA-N |
| TotalMolweight | 341.373 |
| Molweight | 341.373 |
| MonoisotopicMass | 341.12766 |
| CLogP | 5.5074 |
| CLogS | -5.203 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.73 |
| Relative PSA | 0.25476 |
| PolarSurfaceArea | 76.2 |
| Druglikeness | 1.8312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-furan-2-ylmethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine | 2 - N-[(Z)-furan-2-ylmethylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off