N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C19H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C19H16N6 |
| Smiles | C(Cc1c2cccc1)C/C2=N/Nc(c1c2cccc1)nn1c2nnc1 |
| InChI | InChI=1S/C19H16N6/c1-2-8-14-13(6-1)7-5-11-17(14)21-22-18-15-9-3-4-10-16(15)19-23-20-12-25(19)24-18/h1-4,6,8-10,12H,5,7,11H2,(H,22,24) |
| InChIK | WUEKIISPMVILPR-UHFFFAOYSA-N |
| TotalMolweight | 328.378 |
| Molweight | 328.378 |
| MonoisotopicMass | 328.143644 |
| CLogP | 4.5718 |
| CLogS | -6.186 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 251.36 |
| Relative PSA | 0.25394 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 0.5434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine | 2 - N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
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