5-N-(4-chlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine
Formula:C15H12N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-N-(4-chlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine is a drug-like molecule.
| MolName | 5-N-(4-chlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine |
| MolecularFormula | C15H12N5Cl |
| Smiles | Nc1nnc(-c2ccccc2)c(Nc(cc2)ccc2Cl)n1 |
| InChI | InChI=1S/C15H12ClN5/c16-11-6-8-12(9-7-11)18-14-13(20-21-15(17)19-14)10-4-2-1-3-5-10/h1-9H,(H3,17,18,19,21) |
| InChIK | XGRJQAYOIGAFEN-UHFFFAOYSA-N |
| TotalMolweight | 297.748 |
| Molweight | 297.748 |
| MonoisotopicMass | 297.078122 |
| CLogP | 3.1977 |
| CLogS | -5.125 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 224.46 |
| Relative PSA | 0.2657 |
| PolarSurfaceArea | 76.72 |
| Druglikeness | -0.80766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 5-N-(4-chlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine | 2 - 5-N-(4-chlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off