2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C104H82Cl10N30O13 — CID 167650207

About 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 167650207) has the molecular formula C104H82Cl10N30O13 and a molecular weight of 2314.53 g/mol. Its IUPAC name is 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 167650207
• Molecular Formula: C104H82Cl10N30O13
• Molecular Weight: 2314.53 g/mol
• Exact Mass: 2308.36
• IUPAC Name: 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(C(C)(C)c3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(C(C)c3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)c4ccccc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cnc(=O)n(C(C)C)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cnc(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C23H16Cl2N6O3.C22H14Cl2N6O3.C21H20Cl2N6O2.C20H18Cl2N6O2.C18H14Cl2N6O3/c1-13-19(12-26)28-31(23(33)27-13)16-10-17(24)22(18(25)11-16)34-20-8-9-21(32)30(29-20)14(2)15-6-4-3-5-7-15;1-13-19(9-25)28-30(22(32)27-13)15-7-17(23)20(18(24)8-15)33-16-10-26-21(31)29(12-16)11-14-5-3-2-4-6-14;1-11(2)28-18(30)7-6-17(27-28)21(4,5)19-14(22)8-13(9-15(19)23)29-20(31)25-12(3)16(10-24)26-29;1-10(2)27-18(29)6-5-16(25-27)11(3)19-14(21)7-13(8-15(19)22)28-20(30)24-12(4)17(9-23)26-28;1-9(2)25-8-12(7-22-17(25)27)29-16-13(19)4-11(5-14(16)20)26-18(28)23-10(3)15(6-21)24-26/h3-11,14H,1H2,2H3,(H,27,33);2-8,10,12H,1,11H2,(H,27,32);6-9,11H,3H2,1-2,4-5H3,(H,25,31);5-8,10-11H,4H2,1-3H3,(H,24,30);4-5,7-9H,3H2,1-2H3,(H,23,28)
• InChIKey: QLSXXCKUZJNKSX-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 544.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2314.53
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 167650207) is 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(C(C)(C)c3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(C(C)c3ccc(=O)n(C(C)C)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(C(C)c4ccccc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cnc(=O)n(C(C)C)c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cnc(=O)n(Cc4ccccc4)c3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is QLSXXCKUZJNKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O3.C22H14Cl2N6O3.C21H20Cl2N6O2.C20H18Cl2N6O2.C18H14Cl2N6O3/c1-13-19(12-26)28-31(23(33)27-13)16-10-17(24)22(18(25)11-16)34-20-8-9-21(32)30(29-20)14(2)15-6-4-3-5-7-15;1-13-19(9-25)28-30(22(32)27-13)15-7-17(23)20(18(24)8-15)33-16-10-26-21(31)29(12-16)11-14-5-3-2-4-6-14;1-11(2)28-18(30)7-6-17(27-28)21(4,5)19-14(22)8-13(9-15(19)23)29-20(31)25-12(3)16(10-24)26-29;1-10(2)27-18(29)6-5-16(25-27)11(3)19-14(21)7-13(8-15(19)22)28-20(30)24-12(4)17(9-23)26-28;1-9(2)25-8-12(7-22-17(25)27)29-16-13(19)4-11(5-14(16)20)26-18(28)23-10(3)15(6-21)24-26/h3-11,14H,1H2,2H3,(H,27,33);2-8,10,12H,1,11H2,(H,27,32);6-9,11H,3H2,1-2,4-5H3,(H,25,31);5-8,10-11H,4H2,1-3H3,(H,24,30);4-5,7-9H,3H2,1-2H3,(H,23,28).

What are the key properties of 2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

2-[4-(1-benzyl-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2314.53 g/mol, XLogP of 21.62, 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-2-oxopyrimidin-5-yl)oxy-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(1-phenylethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)ethyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[2-(6-oxo-1-propan-2-ylpyridazin-3-yl)propan-2-yl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 167650207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).