N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:C19H14N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| MolecularFormula | C19H14N6O2 |
| Smiles | C1Oc(cc(/C=N\Nc2cc(-c3ccccc3)nc3ncnn23)cc2)c2O1 |
| InChI | InChI=1S/C19H14N6O2/c1-2-4-14(5-3-1)15-9-18(25-19(23-15)20-11-22-25)24-21-10-13-6-7-16-17(8-13)27-12-26-16/h1-11,24H,12H2 |
| InChIK | CYSFEHQLHJRUCV-UHFFFAOYSA-N |
| TotalMolweight | 358.36 |
| Molweight | 358.36 |
| MonoisotopicMass | 358.117824 |
| CLogP | 4.6536 |
| CLogS | -3.879 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 270.79 |
| Relative PSA | 0.30958 |
| PolarSurfaceArea | 85.93 |
| Druglikeness | 4.6614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off