5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one

C10H14FN3O — CID 169086445

IUPAC5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one
SMILESCC1(F)CN(CCc2c[nH]c(=O)cn2)C1
InChIInChI=1S/C10H14FN3O/c1-10(11)6-14(7-10)3-2-8-4-13-9(15)5-12-8/h4-5H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyWMWPMCNJEIJNTA-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.36
Rot. Bonds3

About 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one

5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one (PubChem CID 169086445) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one
PubChem CID169086445
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one
SMILESCC1(F)CN(CCc2c[nH]c(=O)cn2)C1
InChIInChI=1S/C10H14FN3O/c1-10(11)6-14(7-10)3-2-8-4-13-9(15)5-12-8/h4-5H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyWMWPMCNJEIJNTA-UHFFFAOYSA-N
XLogP0.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one (CID 169086445) is 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one is CC1(F)CN(CCc2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one?
The InChIKey is WMWPMCNJEIJNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-10(11)6-14(7-10)3-2-8-4-13-9(15)5-12-8/h4-5H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one?
5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one has a molecular weight of 211.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-1H-pyrazin-2-one is sourced from PubChem (CID 169086445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).