2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

C102H72Cl10N28O15 — CID 158552634

About 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one

2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (PubChem CID 158552634) has the molecular formula C102H72Cl10N28O15 and a molecular weight of 2284.41 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one.

Molecular Properties

• Compound Name: 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• PubChem CID: 158552634
• Molecular Formula: C102H72Cl10N28O15
• Molecular Weight: 2284.41 g/mol
• Exact Mass: 2278.26
• IUPAC Name: 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one
• SMILES: C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4cccc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4ccnc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4cncc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cccc(C)c3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cncc(C)c3)c(Cl)c2)C(=O)N1
• InChI: InChI=1S/2C21H15Cl2N5O3.3C20H14Cl2N6O3/c1-11-4-3-5-13(6-11)15-9-18(26-27-20(15)29)31-19-16(22)7-14(8-17(19)23)28-21(30)25-12(2)10-24-28;1-11-4-3-5-13(6-11)15-9-18(29)26-27-20(15)31-19-16(22)7-14(8-17(19)23)28-21(30)25-12(2)10-24-28;1-10-3-12(9-23-7-10)14-6-17(26-27-19(14)29)31-18-15(21)4-13(5-16(18)22)28-20(30)25-11(2)8-24-28;1-10-3-12(9-23-7-10)14-6-17(29)26-27-19(14)31-18-15(21)4-13(5-16(18)22)28-20(30)25-11(2)8-24-28;1-10-5-12(3-4-23-10)14-8-17(26-27-19(14)29)31-18-15(21)6-13(7-16(18)22)28-20(30)25-11(2)9-24-28/h3-10H,2H2,1H3,(H,25,30)(H,27,29);3-10H,2H2,1H3,(H,25,30)(H,26,29);3-9H,2H2,1H3,(H,25,30)(H,27,29);3-9H,2H2,1H3,(H,25,30)(H,26,29);3-9H,2H2,1H3,(H,25,30)(H,27,29)
• InChIKey: HPXHWZSLRCKIKJ-UHFFFAOYSA-N
• XLogP: 22.55
• TPSA: 537.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2284.41
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The IUPAC name of 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one (CID 158552634) is 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one.

What is the SMILES notation for 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The canonical SMILES for 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4cccc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4ccnc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3cc(-c4cncc(C)c4)c(=O)[nH]n3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cccc(C)c3)c(Cl)c2)C(=O)N1.C=C1C=NN(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cncc(C)c3)c(Cl)c2)C(=O)N1.

What is the InChIKey of 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The InChIKey is HPXHWZSLRCKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15Cl2N5O3.3C20H14Cl2N6O3/c1-11-4-3-5-13(6-11)15-9-18(26-27-20(15)29)31-19-16(22)7-14(8-17(19)23)28-21(30)25-12(2)10-24-28;1-11-4-3-5-13(6-11)15-9-18(29)26-27-20(15)31-19-16(22)7-14(8-17(19)23)28-21(30)25-12(2)10-24-28;1-10-3-12(9-23-7-10)14-6-17(26-27-19(14)29)31-18-15(21)4-13(5-16(18)22)28-20(30)25-11(2)8-24-28;1-10-3-12(9-23-7-10)14-6-17(29)26-27-19(14)31-18-15(21)4-13(5-16(18)22)28-20(30)25-11(2)8-24-28;1-10-5-12(3-4-23-10)14-8-17(26-27-19(14)29)31-18-15(21)6-13(7-16(18)22)28-20(30)25-11(2)9-24-28/h3-10H,2H2,1H3,(H,25,30)(H,27,29);3-10H,2H2,1H3,(H,25,30)(H,26,29);3-9H,2H2,1H3,(H,25,30)(H,27,29);3-9H,2H2,1H3,(H,25,30)(H,26,29);3-9H,2H2,1H3,(H,25,30)(H,27,29).

What are the key properties of 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one?

2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one has a molecular weight of 2284.41 g/mol, XLogP of 22.55, 20 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dichloro-4-[[4-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[4-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-(5-methyl-3-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 158552634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).