2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine

C14H12F3N3O — CID 162745630

IUPAC2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(Oc2ccc(C3CNC3)cc2)cn1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-7-20-13(8-19-12)21-11-3-1-9(2-4-11)10-5-18-6-10/h1-4,7-8,10,18H,5-6H2
InChIKeyRNZGEPILKKBBQR-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.97
Rot. Bonds3

About 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine

2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine (PubChem CID 162745630) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine
PubChem CID162745630
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(Oc2ccc(C3CNC3)cc2)cn1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-7-20-13(8-19-12)21-11-3-1-9(2-4-11)10-5-18-6-10/h1-4,7-8,10,18H,5-6H2
InChIKeyRNZGEPILKKBBQR-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine (CID 162745630) is 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine is FC(F)(F)c1cnc(Oc2ccc(C3CNC3)cc2)cn1.
What is the InChIKey of 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine?
The InChIKey is RNZGEPILKKBBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)12-7-20-13(8-19-12)21-11-3-1-9(2-4-11)10-5-18-6-10/h1-4,7-8,10,18H,5-6H2.
What are the key properties of 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine?
2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine has a molecular weight of 295.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 162745630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).