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

C7H9F2N3O — CID 114570348

IUPAC3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
SMILESCN(CC(F)F)c1ncc[nH]c1=O
InChIInChI=1S/C7H9F2N3O/c1-12(4-5(8)9)6-7(13)11-3-2-10-6/h2-3,5H,4H2,1H3,(H,11,13)
InChIKeyQRBWQQHJGCGJRW-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.47
Rot. Bonds3

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

3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one (PubChem CID 114570348) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
PubChem CID114570348
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
SMILESCN(CC(F)F)c1ncc[nH]c1=O
InChIInChI=1S/C7H9F2N3O/c1-12(4-5(8)9)6-7(13)11-3-2-10-6/h2-3,5H,4H2,1H3,(H,11,13)
InChIKeyQRBWQQHJGCGJRW-UHFFFAOYSA-N
XLogP0.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
CID 107490132
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754
5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
3-[(4-aminophenyl)methyl-methylamino]-1H-pyrazin-2-one
CID 114571079
3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
CID 115657080
3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
CID 114570905
3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114570641
3-[butyl(ethyl)amino]-1H-pyrazin-2-one
CID 115656884

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one (CID 114570348) is 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one is CN(CC(F)F)c1ncc[nH]c1=O.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one?
The InChIKey is QRBWQQHJGCGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-12(4-5(8)9)6-7(13)11-3-2-10-6/h2-3,5H,4H2,1H3,(H,11,13).
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one?
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one has a molecular weight of 189.17 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114570348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).