2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate

C101H68Cl10FN27O20 — CID 167584543

About 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate

2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate (PubChem CID 167584543) has the molecular formula C101H68Cl10FN27O20 and a molecular weight of 2353.35 g/mol. Its IUPAC name is 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

• Compound Name: 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate
• PubChem CID: 167584543
• Molecular Formula: C101H68Cl10FN27O20
• Molecular Weight: 2353.35 g/mol
• Exact Mass: 2347.20
• IUPAC Name: 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CC(=O)O)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CC(=O)OCC)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CCOC)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccncc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cnc(=O)n(Cc4ccc(F)cc4)c3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C22H13Cl2FN6O3.C22H14Cl2N6O3.C20H15Cl2N5O5.C19H15Cl2N5O4.C18H11Cl2N5O5/c1-12-19(8-26)29-31(22(33)28-12)15-6-17(23)20(18(24)7-15)34-16-9-27-21(32)30(11-16)10-13-2-4-14(25)5-3-13;1-13-19(10-25)28-30(22(32)27-13)15-8-17(23)21(18(24)9-15)33-16-2-3-20(31)29(12-16)11-14-4-6-26-7-5-14;1-3-31-18(29)10-26-9-13(4-5-17(26)28)32-19-14(21)6-12(7-15(19)22)27-20(30)24-11(2)16(8-23)25-27;1-11-16(9-22)24-26(19(28)23-11)12-7-14(20)18(15(21)8-12)30-13-3-4-17(27)25(10-13)5-6-29-2;1-9-14(6-21)23-25(18(29)22-9)10-4-12(19)17(13(20)5-10)30-11-2-3-15(26)24(7-11)8-16(27)28/h2-7,9,11H,1,10H2,(H,28,33);2-9,12H,1,11H2,(H,27,32);4-7,9H,2-3,10H2,1H3,(H,24,30);3-4,7-8,10H,1,5-6H2,2H3,(H,23,28);2-5,7H,1,8H2,(H,22,29)(H,27,28)
• InChIKey: HPQOXIXLUBVGMO-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 597.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.35
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate?

The IUPAC name of 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate (CID 167584543) is 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate.

What is the SMILES notation for 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate?

The canonical SMILES for 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate is C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CC(=O)O)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CC(=O)OCC)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CCOC)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccncc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cnc(=O)n(Cc4ccc(F)cc4)c3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate?

The InChIKey is HPQOXIXLUBVGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN6O3.C22H14Cl2N6O3.C20H15Cl2N5O5.C19H15Cl2N5O4.C18H11Cl2N5O5/c1-12-19(8-26)29-31(22(33)28-12)15-6-17(23)20(18(24)7-15)34-16-9-27-21(32)30(11-16)10-13-2-4-14(25)5-3-13;1-13-19(10-25)28-30(22(32)27-13)15-8-17(23)21(18(24)9-15)33-16-2-3-20(31)29(12-16)11-14-4-6-26-7-5-14;1-3-31-18(29)10-26-9-13(4-5-17(26)28)32-19-14(21)6-12(7-15(19)22)27-20(30)24-11(2)16(8-23)25-27;1-11-16(9-22)24-26(19(28)23-11)12-7-14(20)18(15(21)8-12)30-13-3-4-17(27)25(10-13)5-6-29-2;1-9-14(6-21)23-25(18(29)22-9)10-4-12(19)17(13(20)5-10)30-11-2-3-15(26)24(7-11)8-16(27)28/h2-7,9,11H,1,10H2,(H,28,33);2-9,12H,1,11H2,(H,27,32);4-7,9H,2-3,10H2,1H3,(H,24,30);3-4,7-8,10H,1,5-6H2,2H3,(H,23,28);2-5,7H,1,8H2,(H,22,29)(H,27,28).

What are the key properties of 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate?

2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate has a molecular weight of 2353.35 g/mol, XLogP of 18.67, 27 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetic acid;2-[3,5-dichloro-4-[1-[(4-fluorophenyl)methyl]-2-oxopyrimidin-5-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[6-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;ethyl 2-[5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 167584543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).