6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane

C38H40BClF10N10O4 — CID 159208478

About 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane

6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane (PubChem CID 159208478) has the molecular formula C38H40BClF10N10O4 and a molecular weight of 937.05 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane.

Molecular Properties

• Compound Name: 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane
• PubChem CID: 159208478
• Molecular Formula: C38H40BClF10N10O4
• Molecular Weight: 937.05 g/mol
• Exact Mass: 936.29
• IUPAC Name: 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane
• SMILES: C.C.CC1(C)OB(c2cnc(OCC3CC3(F)F)c(F)c2)OC1(C)C.FC(F)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OCC1CC1(F)F
• InChI: InChI=1S/C15H19BF3NO3.C15H10F5N5O.C6H3ClF2N4.2CH4/c1-13(2)14(3,4)23-16(22-13)10-5-11(17)12(20-7-10)21-8-9-6-15(9,18)19;16-9-1-7(3-22-14(9)26-6-8-2-15(8,19)20)10-5-25-11(4-21-10)23-24-13(25)12(17)18;7-3-2-13-4(1-10-3)11-12-6(13)5(8)9;;/h5,7,9H,6,8H2,1-4H3;1,3-5,8,12H,2,6H2;1-2,5H;2*1H4
• InChIKey: KQELWCMLGSVZEU-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 148.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.05
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane?

The IUPAC name of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane (CID 159208478) is 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane.

What is the SMILES notation for 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane?

The canonical SMILES for 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane is C.C.CC1(C)OB(c2cnc(OCC3CC3(F)F)c(F)c2)OC1(C)C.FC(F)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)F)nnc3cn2)cnc1OCC1CC1(F)F.

What is the InChIKey of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane?

The InChIKey is KQELWCMLGSVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BF3NO3.C15H10F5N5O.C6H3ClF2N4.2CH4/c1-13(2)14(3,4)23-16(22-13)10-5-11(17)12(20-7-10)21-8-9-6-15(9,18)19;16-9-1-7(3-22-14(9)26-6-8-2-15(8,19)20)10-5-25-11(4-21-10)23-24-13(25)12(17)18;7-3-2-13-4(1-10-3)11-12-6(13)5(8)9;;/h5,7,9H,6,8H2,1-4H3;1,3-5,8,12H,2,6H2;1-2,5H;2*1H4.

What are the key properties of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane?

6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane has a molecular weight of 937.05 g/mol, XLogP of 8.84, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-[(2,2-difluorocyclopropyl)methoxy]-5-fluoro-3-pyridinyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(2,2-difluorocyclopropyl)methoxy]-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane is sourced from PubChem (CID 159208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).