2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

C105H82Cl11N23O17 — CID 167598096

IUPAC2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
SMILESC=C1C=NN(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)c3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3ccc(=O)n(CC4CCOCC4)c3)c(Cl)c2)C(=O)N1.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(Cl)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.CC(C)Cn1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)ccc1=O
InChIInChI=1S/C24H17Cl2N5O3.C23H14Cl3N5O3.C21H20Cl2N4O4.C19H15Cl2N5O4.C18H16Cl2N4O3/c1-14-8-18(13-30(23(14)32)12-16-6-4-3-5-7-16)34-22-19(25)9-17(10-20(22)26)31-24(33)28-15(2)21(11-27)29-31;1-13-20(10-27)29-31(23(33)28-13)15-7-17(24)21(18(25)8-15)34-16-9-19(26)22(32)30(12-16)11-14-5-3-2-4-6-14;1-13-10-24-27(21(29)25-13)15-8-17(22)20(18(23)9-15)31-16-2-3-19(28)26(12-16)11-14-4-6-30-7-5-14;1-10(2)8-25-9-12(3-4-16(25)27)30-17-13(20)5-11(6-14(17)21)26-19(29)23-18(28)15(7-22)24-26;1-10(2)23-9-13(4-5-16(23)25)27-17-14(19)6-12(7-15(17)20)24-18(26)22-11(3)8-21-24/h3-10,13H,2,12H2,1H3,(H,28,33);2-9,12H,1,11H2,(H,28,33);2-3,8-10,12,14H,1,4-7,11H2,(H,25,29);3-6,9-10H,8H2,1-2H3,(H,23,28,29);4-10H,3H2,1-2H3,(H,22,26)
InChIKeyJIWIDKJSVIQNKY-UHFFFAOYSA-N
MW2327.94 g/mol
LogP22.47
Rot. Bonds24

About 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (PubChem CID 167598096) has the molecular formula C105H82Cl11N23O17 and a molecular weight of 2327.94 g/mol. Its IUPAC name is 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
PubChem CID167598096
Molecular FormulaC105H82Cl11N23O17
Molecular Weight2327.94 g/mol
Exact Mass2321.28
IUPAC Name2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
SMILESC=C1C=NN(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)c3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3ccc(=O)n(CC4CCOCC4)c3)c(Cl)c2)C(=O)N1.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(Cl)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.CC(C)Cn1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)ccc1=O
InChIInChI=1S/C24H17Cl2N5O3.C23H14Cl3N5O3.C21H20Cl2N4O4.C19H15Cl2N5O4.C18H16Cl2N4O3/c1-14-8-18(13-30(23(14)32)12-16-6-4-3-5-7-16)34-22-19(25)9-17(10-20(22)26)31-24(33)28-15(2)21(11-27)29-31;1-13-20(10-27)29-31(23(33)28-13)15-7-17(24)21(18(25)8-15)34-16-9-19(26)22(32)30(12-16)11-14-5-3-2-4-6-14;1-13-10-24-27(21(29)25-13)15-8-17(22)20(18(23)9-15)31-16-2-3-19(28)26(12-16)11-14-4-6-30-7-5-14;1-10(2)8-25-9-12(3-4-16(25)27)30-17-13(20)5-11(6-14(17)21)26-19(29)23-18(28)15(7-22)24-26;1-10(2)23-9-13(4-5-16(23)25)27-17-14(19)6-12(7-15(17)20)24-18(26)22-11(3)8-21-24/h3-10,13H,2,12H2,1H3,(H,28,33);2-9,12H,1,11H2,(H,28,33);2-3,8-10,12,14H,1,4-7,11H2,(H,25,29);3-6,9-10H,8H2,1-2H3,(H,23,28,29);4-10H,3H2,1-2H3,(H,22,26)
InChIKeyJIWIDKJSVIQNKY-UHFFFAOYSA-N
XLogP22.47
TPSA483.30 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002327.94
LogP ≤ 522.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?
The IUPAC name of 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (CID 167598096) is 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one.
What is the SMILES notation for 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?
The canonical SMILES for 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is C=C1C=NN(c2cc(Cl)c(Oc3ccc(=O)n(C(C)C)c3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3ccc(=O)n(CC4CCOCC4)c3)c(Cl)c2)C(=O)N1.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(Cl)c(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.CC(C)Cn1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)ccc1=O.
What is the InChIKey of 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?
The InChIKey is JIWIDKJSVIQNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O3.C23H14Cl3N5O3.C21H20Cl2N4O4.C19H15Cl2N5O4.C18H16Cl2N4O3/c1-14-8-18(13-30(23(14)32)12-16-6-4-3-5-7-16)34-22-19(25)9-17(10-20(22)26)31-24(33)28-15(2)21(11-27)29-31;1-13-20(10-27)29-31(23(33)28-13)15-7-17(24)21(18(25)8-15)34-16-9-19(26)22(32)30(12-16)11-14-5-3-2-4-6-14;1-13-10-24-27(21(29)25-13)15-8-17(22)20(18(23)9-15)31-16-2-3-19(28)26(12-16)11-14-4-6-30-7-5-14;1-10(2)8-25-9-12(3-4-16(25)27)30-17-13(20)5-11(6-14(17)21)26-19(29)23-18(28)15(7-22)24-26;1-10(2)23-9-13(4-5-16(23)25)27-17-14(19)6-12(7-15(17)20)24-18(26)22-11(3)8-21-24/h3-10,13H,2,12H2,1H3,(H,28,33);2-9,12H,1,11H2,(H,28,33);2-3,8-10,12,14H,1,4-7,11H2,(H,25,29);3-6,9-10H,8H2,1-2H3,(H,23,28,29);4-10H,3H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?
2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one has a molecular weight of 2327.94 g/mol, XLogP of 22.47, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzyl-5-chloro-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[4-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(2-methylpropyl)-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[1-(oxan-4-ylmethyl)-6-oxo-3-pyridinyl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-1-propan-2-yl-3-pyridinyl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 167598096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).