3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C16H13F6N5O2 — CID 156754723

About 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 156754723) has the molecular formula C16H13F6N5O2 and a molecular weight of 421.30 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 156754723
• Molecular Formula: C16H13F6N5O2
• Molecular Weight: 421.30 g/mol
• Exact Mass: 421.10
• IUPAC Name: 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC(C)(Oc1ncc(-c2cn3c(COC(F)F)nnc3cn2)cc1F)C(F)(F)F
• InChI: InChI=1S/C16H13F6N5O2/c1-15(2,16(20,21)22)29-13-9(17)3-8(4-24-13)10-6-27-11(5-23-10)25-26-12(27)7-28-14(18)19/h3-6,14H,7H2,1-2H3
• InChIKey: PWHOKIXTYKAQRI-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 74.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.30
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 156754723) is 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(Oc1ncc(-c2cn3c(COC(F)F)nnc3cn2)cc1F)C(F)(F)F.

What is the InChIKey of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is PWHOKIXTYKAQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N5O2/c1-15(2,16(20,21)22)29-13-9(17)3-8(4-24-13)10-6-27-11(5-23-10)25-26-12(27)7-28-14(18)19/h3-6,14H,7H2,1-2H3.

What are the key properties of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 421.30 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 156754723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).