6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane

C40H50BClF8N10O6 — CID 159881252

About 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane

6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane (PubChem CID 159881252) has the molecular formula C40H50BClF8N10O6 and a molecular weight of 965.15 g/mol. Its IUPAC name is 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane.

Molecular Properties

• Compound Name: 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane
• PubChem CID: 159881252
• Molecular Formula: C40H50BClF8N10O6
• Molecular Weight: 965.15 g/mol
• Exact Mass: 964.36
• IUPAC Name: 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane
• SMILES: C.C.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.COCc1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.COCc1nnc2cnc(Cl)cn12
• InChI: InChI=1S/C16H15F4N5O2.C15H20BF4NO3.C7H7ClN4O.2CH4/c1-15(2,16(18,19)20)27-14-10(17)4-9(5-22-14)11-7-25-12(6-21-11)23-24-13(25)8-26-3;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;1-13-4-7-11-10-6-2-9-5(8)3-12(6)7;;/h4-7H,8H2,1-3H3;7-8H,1-6H3;2-3H,4H2,1H3;2*1H4
• InChIKey: NTOALVSRSBRZLU-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 167.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.15
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane?

The IUPAC name of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane (CID 159881252) is 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane.

What is the SMILES notation for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane?

The canonical SMILES for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane is C.C.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.COCc1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.COCc1nnc2cnc(Cl)cn12.

What is the InChIKey of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane?

The InChIKey is NTOALVSRSBRZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5O2.C15H20BF4NO3.C7H7ClN4O.2CH4/c1-15(2,16(18,19)20)27-14-10(17)4-9(5-22-14)11-7-25-12(6-21-11)23-24-13(25)8-26-3;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;1-13-4-7-11-10-6-2-9-5(8)3-12(6)7;;/h4-7H,8H2,1-3H3;7-8H,1-6H3;2-3H,4H2,1H3;2*1H4.

What are the key properties of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane?

6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane has a molecular weight of 965.15 g/mol, XLogP of 8.63, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane is sourced from PubChem (CID 159881252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).