3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one

C8H11F2N3O — CID 164653013

IUPAC3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one
SMILESCN(CC(C)(F)F)c1ncc[nH]c1=O
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)5-13(2)6-7(14)12-4-3-11-6/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyQJBHAPMOSLQDIE-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.86
Rot. Bonds3

About 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one

3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one (PubChem CID 164653013) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one
PubChem CID164653013
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one
SMILESCN(CC(C)(F)F)c1ncc[nH]c1=O
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)5-13(2)6-7(14)12-4-3-11-6/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyQJBHAPMOSLQDIE-UHFFFAOYSA-N
XLogP0.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one (CID 164653013) is 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one is CN(CC(C)(F)F)c1ncc[nH]c1=O.
What is the InChIKey of 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one?
The InChIKey is QJBHAPMOSLQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(9,10)5-13(2)6-7(14)12-4-3-11-6/h3-4H,5H2,1-2H3,(H,12,14).
What are the key properties of 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one?
3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one has a molecular weight of 203.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoropropyl(methyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 164653013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).