5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one

C10H14F2N4O — CID 171484623

IUPAC5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1cc(N)nc(N2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C10H14F2N4O/c1-15-6-7(13)14-8(9(15)17)16-4-2-10(11,12)3-5-16/h6H,2-5,13H2,1H3
InChIKeyVFXKUXJHTVEBPR-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.60
Rot. Bonds1

About 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one

5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one (PubChem CID 171484623) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
PubChem CID171484623
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1cc(N)nc(N2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C10H14F2N4O/c1-15-6-7(13)14-8(9(15)17)16-4-2-10(11,12)3-5-16/h6H,2-5,13H2,1H3
InChIKeyVFXKUXJHTVEBPR-UHFFFAOYSA-N
XLogP0.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
The IUPAC name of 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one (CID 171484623) is 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one.
What is the SMILES notation for 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
The canonical SMILES for 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one is Cn1cc(N)nc(N2CCC(F)(F)CC2)c1=O.
What is the InChIKey of 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
The InChIKey is VFXKUXJHTVEBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-15-6-7(13)14-8(9(15)17)16-4-2-10(11,12)3-5-16/h6H,2-5,13H2,1H3.
What are the key properties of 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one has a molecular weight of 244.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one is sourced from PubChem (CID 171484623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).