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

C16H15F4N5O2 — CID 146753106

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

3-(ethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 146753106) has the molecular formula C16H15F4N5O2 and a molecular weight of 385.32 g/mol. Its IUPAC name is 3-(ethoxymethyl)-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-(ethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 146753106
• Molecular Formula: C16H15F4N5O2
• Molecular Weight: 385.32 g/mol
• Exact Mass: 385.12
• IUPAC Name: 3-(ethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CCOCc1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cn12
• InChI: InChI=1S/C16H15F4N5O2/c1-3-26-8-14-24-23-13-6-21-12(7-25(13)14)10-4-11(17)15(22-5-10)27-9(2)16(18,19)20/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1
• InChIKey: RNUFIBYUOGVDCK-SECBINFHSA-N
• XLogP: 3.19
• TPSA: 74.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.32
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-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-(ethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 146753106) is 3-(ethoxymethyl)-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-(ethoxymethyl)-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-(ethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCOCc1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cn12.

What is the InChIKey of 3-(ethoxymethyl)-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 RNUFIBYUOGVDCK-SECBINFHSA-N. The full InChI is InChI=1S/C16H15F4N5O2/c1-3-26-8-14-24-23-13-6-21-12(7-25(13)14)10-4-11(17)15(22-5-10)27-9(2)16(18,19)20/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1.

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

3-(ethoxymethyl)-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 385.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(ethoxymethyl)-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 146753106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).