3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C15H11F6N5O2 — CID 153370896

About 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153370896) has the molecular formula C15H11F6N5O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 153370896
• Molecular Formula: C15H11F6N5O2
• Molecular Weight: 407.27 g/mol
• Exact Mass: 407.08
• IUPAC Name: 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: COC(F)(F)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cn12
• InChI: InChI=1S/C15H11F6N5O2/c1-7(14(17,18)19)28-12-9(16)3-8(4-23-12)10-6-26-11(5-22-10)24-25-13(26)15(20,21)27-2/h3-7H,1-2H3/t7-/m1/s1
• InChIKey: HWHZNOTXIOLVLZ-SSDOTTSWSA-N
• XLogP: 3.35
• TPSA: 74.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.27
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 153370896) is 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is COC(F)(F)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cn12.

What is the InChIKey of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is HWHZNOTXIOLVLZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H11F6N5O2/c1-7(14(17,18)19)28-12-9(16)3-8(4-23-12)10-6-26-11(5-22-10)24-25-13(26)15(20,21)27-2/h3-7H,1-2H3/t7-/m1/s1.

What are the key properties of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 407.27 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153370896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).