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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate

C113H77Cl10F4N23O19 — CID 167653594

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate (PubChem CID 167653594) has the molecular formula C113H77Cl10F4N23O19 and a molecular weight of 2491.52 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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate.

Molecular Properties

• Compound Name: 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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate
• PubChem CID: 167653594
• Molecular Formula: C113H77Cl10F4N23O19
• Molecular Weight: 2491.52 g/mol
• Exact Mass: 2485.26
• IUPAC Name: 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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate
• SMILES: 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(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.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C(=O)OC.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(OC(C)C)nc3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C24H14Cl2F3N5O3.C24H18Cl2N4O5.C23H14Cl2FN5O3.C23H16Cl2N4O5.C19H15Cl2N5O3/c1-13-20(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;1-14-21(23(32)34-2)28-30(24(33)27-14)16-10-18(25)22(19(26)11-16)35-17-8-9-20(31)29(13-17)12-15-6-4-3-5-7-15;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;1-10(2)28-17-5-4-13(9-23-17)29-18-14(20)6-12(7-15(18)21)26-19(27)24-11(3)16(8-22)25-26/h2-9,12H,1,11H2,(H,31,36);3-11,13H,1,12H2,2H3,(H,27,33);2-9,12H,1,11H2,(H,28,33);2-10,12H,1,11H2,(H,26,33)(H,31,32);4-7,9-10H,3H2,1-2H3,(H,24,27)
• InChIKey: QXVMVMKALGCXEH-UHFFFAOYSA-N
• XLogP: 24.93
• TPSA: 514.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2491.52
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate (CID 167653594) 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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate.

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate is 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(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.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C(=O)OC.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(OC(C)C)nc3)c(Cl)c2)N=C1C#N.

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?

The InChIKey is QXVMVMKALGCXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3N5O3.C24H18Cl2N4O5.C23H14Cl2FN5O3.C23H16Cl2N4O5.C19H15Cl2N5O3/c1-13-20(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;1-14-21(23(32)34-2)28-30(24(33)27-14)16-10-18(25)22(19(26)11-16)35-17-8-9-20(31)29(13-17)12-15-6-4-3-5-7-15;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;1-10(2)28-17-5-4-13(9-23-17)29-18-14(20)6-12(7-15(18)21)26-19(27)24-11(3)16(8-22)25-26/h2-9,12H,1,11H2,(H,31,36);3-11,13H,1,12H2,2H3,(H,27,33);2-9,12H,1,11H2,(H,28,33);2-10,12H,1,11H2,(H,26,33)(H,31,32);4-7,9-10H,3H2,1-2H3,(H,24,27).

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate?

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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate has a molecular weight of 2491.52 g/mol, XLogP of 24.93, 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-[(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-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;methyl 2-[4-[(1-benzyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carboxylate is sourced from PubChem (CID 167653594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).