3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one

C8H9F2N3O — CID 122269404

IUPAC3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CC(F)(F)C2)c1=O
InChIInChI=1S/C8H9F2N3O/c1-12-3-2-11-6(7(12)14)13-4-8(9,10)5-13/h2-3H,4-5H2,1H3
InChIKeyQHHGMGOMEUWDME-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.24
Rot. Bonds1

About 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one

3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one (PubChem CID 122269404) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one
PubChem CID122269404
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CC(F)(F)C2)c1=O
InChIInChI=1S/C8H9F2N3O/c1-12-3-2-11-6(7(12)14)13-4-8(9,10)5-13/h2-3H,4-5H2,1H3
InChIKeyQHHGMGOMEUWDME-UHFFFAOYSA-N
XLogP0.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one (CID 122269404) is 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one is Cn1ccnc(N2CC(F)(F)C2)c1=O.
What is the InChIKey of 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one?
The InChIKey is QHHGMGOMEUWDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c1-12-3-2-11-6(7(12)14)13-4-8(9,10)5-13/h2-3H,4-5H2,1H3.
What are the key properties of 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one?
3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one has a molecular weight of 201.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2-one is sourced from PubChem (CID 122269404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).