6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane

C65H70BCl6F22N19O9 — CID 157066996

About 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane

6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane (PubChem CID 157066996) has the molecular formula C65H70BCl6F22N19O9 and a molecular weight of 1902.88 g/mol. Its IUPAC name is 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane.

Molecular Properties

• Compound Name: 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane
• PubChem CID: 157066996
• Molecular Formula: C65H70BCl6F22N19O9
• Molecular Weight: 1902.88 g/mol
• Exact Mass: 1899.35
• IUPAC Name: 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane
• SMILES: C.C.C.C.C.CC(C)(Oc1ncc(-c2ccc3nnc(C(F)(F)Cl)n3n2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.COC(F)(F)c1nnc2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)nn12.FC(F)(Cl)c1nnc2ccc(Cl)nn12.NNc1ccc(Cl)nn1.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl
• InChI: InChI=1S/C16H13F6N5O2.C15H20BF4NO3.C15H10ClF6N5O.C6H2Cl2F2N4.C4Cl2F4O3.C4H5ClN4.5CH4/c1-14(2,16(20,21)22)29-12-9(17)6-8(7-23-12)10-4-5-11-24-25-13(27(11)26-10)15(18,19)28-3;1-12(2)13(3,4)24-16(23-12)9-7-10(17)11(21-8-9)22-14(5,6)15(18,19)20;1-13(2,15(20,21)22)28-11-8(17)5-7(6-23-11)9-3-4-10-24-25-12(14(16,18)19)27(10)26-9;7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3;5-3(7,8)1(11)13-2(12)4(6,9)10;5-3-1-2-4(7-6)9-8-3;;;;;/h4-7H,1-3H3;7-8H,1-6H3;3-6H,1-2H3;1-2H;;1-2H,6H2,(H,7,9);5*1H4
• InChIKey: ABZKKRKMSSTGBF-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 330.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1902.88
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane?

The IUPAC name of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane (CID 157066996) is 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane.

What is the SMILES notation for 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane?

The canonical SMILES for 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane is C.C.C.C.C.CC(C)(Oc1ncc(-c2ccc3nnc(C(F)(F)Cl)n3n2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.COC(F)(F)c1nnc2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)nn12.FC(F)(Cl)c1nnc2ccc(Cl)nn12.NNc1ccc(Cl)nn1.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.

What is the InChIKey of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane?

The InChIKey is ABZKKRKMSSTGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N5O2.C15H20BF4NO3.C15H10ClF6N5O.C6H2Cl2F2N4.C4Cl2F4O3.C4H5ClN4.5CH4/c1-14(2,16(20,21)22)29-12-9(17)6-8(7-23-12)10-4-5-11-24-25-13(27(11)26-10)15(18,19)28-3;1-12(2)13(3,4)24-16(23-12)9-7-10(17)11(21-8-9)22-14(5,6)15(18,19)20;1-13(2,15(20,21)22)28-11-8(17)5-7(6-23-11)9-3-4-10-24-25-12(14(16,18)19)27(10)26-9;7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3;5-3(7,8)1(11)13-2(12)4(6,9)10;5-3-1-2-4(7-6)9-8-3;;;;;/h4-7H,1-3H3;7-8H,1-6H3;3-6H,1-2H3;1-2H;;1-2H,6H2,(H,7,9);5*1H4.

What are the key properties of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane?

6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane has a molecular weight of 1902.88 g/mol, XLogP of 18.69, 16 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;(6-chloropyridazin-3-yl)hydrazine;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;methane is sourced from PubChem (CID 157066996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).