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

C16H13F6N5O2 — CID 156754744

IUPAC3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1c(-c2cnc(O[C@H](C)C(F)(F)F)c(F)c2)ncc2nnc(COC(F)F)n12
InChIInChI=1S/C16H13F6N5O2/c1-7-13(23-5-11-25-26-12(27(7)11)6-28-15(18)19)9-3-10(17)14(24-4-9)29-8(2)16(20,21)22/h3-5,8,15H,6H2,1-2H3/t8-/m1/s1
InChIKeyKOFMANIPRWRCTJ-MRVPVSSYSA-N
MW421.30 g/mol
LogP3.70
Rot. Bonds6

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

3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 156754744) has the molecular formula C16H13F6N5O2 and a molecular weight of 421.30 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID156754744
Molecular FormulaC16H13F6N5O2
Molecular Weight421.30 g/mol
Exact Mass421.10
IUPAC Name3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1c(-c2cnc(O[C@H](C)C(F)(F)F)c(F)c2)ncc2nnc(COC(F)F)n12
InChIInChI=1S/C16H13F6N5O2/c1-7-13(23-5-11-25-26-12(27(7)11)6-28-15(18)19)9-3-10(17)14(24-4-9)29-8(2)16(20,21)22/h3-5,8,15H,6H2,1-2H3/t8-/m1/s1
InChIKeyKOFMANIPRWRCTJ-MRVPVSSYSA-N
XLogP3.70
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 156754744) is 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1c(-c2cnc(O[C@H](C)C(F)(F)F)c(F)c2)ncc2nnc(COC(F)F)n12.
What is the InChIKey of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KOFMANIPRWRCTJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H13F6N5O2/c1-7-13(23-5-11-25-26-12(27(7)11)6-28-15(18)19)9-3-10(17)14(24-4-9)29-8(2)16(20,21)22/h3-5,8,15H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethoxymethyl)-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 421.30 g/mol, XLogP of 3.70, 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-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 156754744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).