2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C100H67Cl10N31O18 — CID 167571820

About 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 167571820) has the molecular formula C100H67Cl10N31O18 and a molecular weight of 2345.36 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 167571820
• Molecular Formula: C100H67Cl10N31O18
• Molecular Weight: 2345.36 g/mol
• Exact Mass: 2339.22
• IUPAC Name: 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CO)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(COC)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(C)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(OC)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4cccnc4)n3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C23H16Cl2N6O4.C23H16Cl2N6O3.C21H13Cl2N7O3.C17H12Cl2N6O4.C16H10Cl2N6O4/c1-13-19(11-26)28-31(23(33)27-13)15-9-17(24)22(18(25)10-15)35-20-7-8-21(32)30(29-20)12-14-3-5-16(34-2)6-4-14;1-13-3-5-15(6-4-13)12-30-21(32)8-7-20(29-30)34-22-17(24)9-16(10-18(22)25)31-23(33)27-14(2)19(11-26)28-31;1-12-17(9-24)27-30(21(32)26-12)14-7-15(22)20(16(23)8-14)33-18-4-5-19(31)29(28-18)11-13-3-2-6-25-10-13;1-9-13(7-20)22-25(17(27)21-9)10-5-11(18)16(12(19)6-10)29-14-3-4-15(26)24(23-14)8-28-2;1-8-12(6-19)21-24(16(27)20-8)9-4-10(17)15(11(18)5-9)28-13-2-3-14(26)23(7-25)22-13/h3-10H,1,12H2,2H3,(H,27,33);3-10H,2,12H2,1H3,(H,27,33);2-8,10H,1,11H2,(H,26,32);3-6H,1,8H2,2H3,(H,21,27);2-5,25H,1,7H2,(H,20,27)
• InChIKey: FZTSWLQDIYSUOT-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 614.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.36
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The IUPAC name of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 167571820) is 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

What is the SMILES notation for 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The canonical SMILES for 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(CO)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(COC)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(C)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4ccc(OC)cc4)n3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc(=O)n(Cc4cccnc4)n3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is FZTSWLQDIYSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O4.C23H16Cl2N6O3.C21H13Cl2N7O3.C17H12Cl2N6O4.C16H10Cl2N6O4/c1-13-19(11-26)28-31(23(33)27-13)15-9-17(24)22(18(25)10-15)35-20-7-8-21(32)30(29-20)12-14-3-5-16(34-2)6-4-14;1-13-3-5-15(6-4-13)12-30-21(32)8-7-20(29-30)34-22-17(24)9-16(10-18(22)25)31-23(33)27-14(2)19(11-26)28-31;1-12-17(9-24)27-30(21(32)26-12)14-7-15(22)20(16(23)8-14)33-18-4-5-19(31)29(28-18)11-13-3-2-6-25-10-13;1-9-13(7-20)22-25(17(27)21-9)10-5-11(18)16(12(19)6-10)29-14-3-4-15(26)24(23-14)8-28-2;1-8-12(6-19)21-24(16(27)20-8)9-4-10(17)15(11(18)5-9)28-13-2-3-14(26)23(7-25)22-13/h3-10H,1,12H2,2H3,(H,27,33);3-10H,2,12H2,1H3,(H,27,33);2-8,10H,1,11H2,(H,26,32);3-6H,1,8H2,2H3,(H,21,27);2-5,25H,1,7H2,(H,20,27).

What are the key properties of 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2345.36 g/mol, XLogP of 17.74, 25 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dichloro-4-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-(methoxymethyl)-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[6-oxo-1-(pyridin-3-ylmethyl)pyridazin-3-yl]oxyphenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 167571820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).