About 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-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-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 167598068) has the molecular formula C117H71Cl10F9N24O18
and a molecular weight of 2626.52 g/mol. Its IUPAC name is 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-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-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 167598068) is 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-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-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-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(Cc4ccc(F)c(F)c4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(F)cc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(OC(F)(F)F)cc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4cccc(C(F)(F)F)c4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C(=O)O.
What is the InChIKey of 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is JIUKPDBHHVKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3N5O4.C24H14Cl2F3N5O3.C23H13Cl2F2N5O3.C23H14Cl2FN5O3.C23H16Cl2N4O5/c1-13-20(10-30)32-34(23(36)31-13)15-8-18(25)22(19(26)9-15)37-17-6-7-21(35)33(12-17)11-14-2-4-16(5-3-14)38-24(27,28)29;1-13-20(10-30)32-34(23(36)31-13)16-8-18(25)22(19(26)9-16)37-17-5-6-21(35)33(12-17)11-14-3-2-4-15(7-14)24(27,28)29;1-12-20(9-28)30-32(23(34)29-12)14-7-16(24)22(17(25)8-14)35-15-3-5-21(33)31(11-15)10-13-2-4-18(26)19(27)6-13;1-13-20(10-27)29-31(23(33)28-13)16-8-18(24)22(19(25)9-16)34-17-6-7-21(32)30(12-17)11-14-2-4-15(26)5-3-14;1-13-20(22(31)32)27-29(23(33)26-13)15-9-17(24)21(18(25)10-15)34-16-7-8-19(30)28(12-16)11-14-5-3-2-4-6-14/h2-9,12H,1,11H2,(H,31,36);2-9,12H,1,11H2,(H,31,36);2-8,11H,1,10H2,(H,29,34);2-9,12H,1,11H2,(H,28,33);2-10,12H,1,11H2,(H,26,33)(H,31,32).
What are the key properties of 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-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-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2626.52 g/mol, XLogP of 26.49, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylic acid;2-[3,5-dichloro-4-[[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 167598068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).