5-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:C25H20N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is not a drug-like molecule.
| MolName | 5-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| MolecularFormula | C25H20N6O |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\Nc2cc(-c3ccccc3)nc3ncnn23)cc1 |
| InChI | InChI=1S/C25H20N6O/c1-3-7-20(8-4-1)17-32-22-13-11-19(12-14-22)16-27-30-24-15-23(21-9-5-2-6-10-21)29-25-26-18-28-31(24)25/h1-16,18,30H,17H2 |
| InChIK | CXRPCJBVBSDHKY-UHFFFAOYSA-N |
| TotalMolweight | 420.475 |
| Molweight | 420.475 |
| MonoisotopicMass | 420.169859 |
| CLogP | 5.8903 |
| CLogS | -4.509 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 334.05 |
| Relative PSA | 0.22101 |
| PolarSurfaceArea | 76.7 |
| Druglikeness | 4.4529 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 2 - 5-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
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