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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane

C36H42BClF8N10O6 — CID 159781964

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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane (PubChem CID 159781964) has the molecular formula C36H42BClF8N10O6 and a molecular weight of 909.04 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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane
• PubChem CID: 159781964
• Molecular Formula: C36H42BClF8N10O6
• Molecular Weight: 909.04 g/mol
• Exact Mass: 908.29
• 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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane
• SMILES: C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.COCc1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.COCc1nnc2cnc(Cl)cn12
• InChI: InChI=1S/C14H11F4N5O2.C13H16BF4NO3.C7H7ClN4O.2CH4/c1-24-6-12-22-21-11-4-19-10(5-23(11)12)8-2-9(15)13(20-3-8)25-7-14(16,17)18;1-11(2)12(3,4)22-14(21-11)8-5-9(15)10(19-6-8)20-7-13(16,17)18;1-13-4-7-11-10-6-2-9-5(8)3-12(6)7;;/h2-5H,6-7H2,1H3;5-6H,7H2,1-4H3;2-3H,4H2,1H3;2*1H4
• InChIKey: NHLWZMILRZNFLX-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 167.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.04
LogP ≤ 5	7.07
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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane (CID 159781964) 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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane is C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.COCc1nnc2cnc(-c3cnc(OCC(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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane?

The InChIKey is NHLWZMILRZNFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N5O2.C13H16BF4NO3.C7H7ClN4O.2CH4/c1-24-6-12-22-21-11-4-19-10(5-23(11)12)8-2-9(15)13(20-3-8)25-7-14(16,17)18;1-11(2)12(3,4)22-14(21-11)8-5-9(15)10(19-6-8)20-7-13(16,17)18;1-13-4-7-11-10-6-2-9-5(8)3-12(6)7;;/h2-5H,6-7H2,1H3;5-6H,7H2,1-4H3;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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane has a molecular weight of 909.04 g/mol, XLogP of 7.07, 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-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane is sourced from PubChem (CID 159781964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).