2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine

C13H11F3N4O — CID 172634906

IUPAC2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine
SMILESFC(F)(F)c1ccc(Oc2nccnc2C2CNC2)cn1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)10-2-1-9(7-20-10)21-12-11(8-5-17-6-8)18-3-4-19-12/h1-4,7-8,17H,5-6H2
InChIKeyVHMWASUAAAOGOV-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.37
Rot. Bonds3

About 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine

2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine (PubChem CID 172634906) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine
PubChem CID172634906
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine
SMILESFC(F)(F)c1ccc(Oc2nccnc2C2CNC2)cn1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)10-2-1-9(7-20-10)21-12-11(8-5-17-6-8)18-3-4-19-12/h1-4,7-8,17H,5-6H2
InChIKeyVHMWASUAAAOGOV-UHFFFAOYSA-N
XLogP2.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine?
The IUPAC name of 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine (CID 172634906) is 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine.
What is the SMILES notation for 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine?
The canonical SMILES for 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine is FC(F)(F)c1ccc(Oc2nccnc2C2CNC2)cn1.
What is the InChIKey of 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine?
The InChIKey is VHMWASUAAAOGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)10-2-1-9(7-20-10)21-12-11(8-5-17-6-8)18-3-4-19-12/h1-4,7-8,17H,5-6H2.
What are the key properties of 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine?
2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine has a molecular weight of 296.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazine is sourced from PubChem (CID 172634906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).