About 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 167680574) has the molecular formula C102H56Cl10F2N34O15
and a molecular weight of 2390.32 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 167680574) is 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(-c4ccc(C)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(-c4ccc(F)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(-c4cccc(F)c4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(-c4cncnc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(-c4ncccn4)n3)c(Cl)c2)N=C1C#N.
What is the InChIKey of 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is VMAZYOAPXQQJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N6O3.2C21H11Cl2FN6O3.2C19H10Cl2N8O3/c1-12-3-5-14(6-4-12)29-20(31)8-7-19(28-29)33-21-16(23)9-15(10-17(21)24)30-22(32)26-13(2)18(11-25)27-30;1-11-17(10-25)27-30(21(32)26-11)14-8-15(22)20(16(23)9-14)33-18-6-7-19(31)29(28-18)13-4-2-12(24)3-5-13;1-11-17(10-25)27-30(21(32)26-11)14-8-15(22)20(16(23)9-14)33-18-5-6-19(31)29(28-18)13-4-2-3-12(24)7-13;1-10-14(9-22)26-28(19(31)25-10)11-7-12(20)17(13(21)8-11)32-15-3-4-16(30)29(27-15)18-23-5-2-6-24-18;1-10-15(6-22)26-29(19(31)25-10)11-4-13(20)18(14(21)5-11)32-16-2-3-17(30)28(27-16)12-7-23-9-24-8-12/h3-10H,2H2,1H3,(H,26,32);2*2-9H,1H2,(H,26,32);2-8H,1H2,(H,25,31);2-5,7-9H,1H2,(H,25,31).
What are the key properties of 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2390.32 g/mol, XLogP of 19.44, 20 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-pyrimidin-5-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 167680574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).