About 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 167564222) has the molecular formula C99H70Cl10N28O15
and a molecular weight of 2246.36 g/mol. Its IUPAC name is 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 167564222) is 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CC)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)n3)c(Cl)c2)N=C1C#N.
What is the InChIKey of 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is FBJNVHSCIGNZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O3.C22H14Cl2N6O3.C19H15Cl2N5O3.C18H14Cl2N6O3.C17H12Cl2N6O3/c1-14-20(11-26)28-30(23(32)27-14)16-9-18(24)22(19(25)10-16)33-17-7-8-21(31)29(13-17)12-15-5-3-2-4-6-15;1-13-18(11-25)27-30(22(32)26-13)15-9-16(23)21(17(24)10-15)33-19-7-8-20(31)29(28-19)12-14-5-3-2-4-6-14;1-10(2)25-9-13(4-5-17(25)27)29-18-14(20)6-12(7-15(18)21)26-19(28)23-11(3)16(8-22)24-26;1-9(2)25-16(27)5-4-15(24-25)29-17-12(19)6-11(7-13(17)20)26-18(28)22-10(3)14(8-21)23-26;1-3-24-15(26)5-4-14(23-24)28-16-11(18)6-10(7-12(16)19)25-17(27)21-9(2)13(8-20)22-25/h2-10,13H,1,12H2,(H,27,32);2-10H,1,12H2,(H,26,32);4-7,9-10H,3H2,1-2H3,(H,23,28);4-7,9H,3H2,1-2H3,(H,22,28);4-7H,2-3H2,1H3,(H,21,27).
What are the key properties of 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2246.36 g/mol, XLogP of 20.81, 22 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzyl-6-oxopyridazin-3-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1-ethyl-6-oxopyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 167564222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).