3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one

C8H11F2N3O — CID 115407571

IUPAC3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCC(F)F)c1=O
InChIInChI=1S/C8H11F2N3O/c1-2-13-4-3-11-7(8(13)14)12-5-6(9)10/h3-4,6H,2,5H2,1H3,(H,11,12)
InChIKeyLQHXTPKLNYTWJA-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.94
Rot. Bonds4

About 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one

3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one (PubChem CID 115407571) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
PubChem CID115407571
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCC(F)F)c1=O
InChIInChI=1S/C8H11F2N3O/c1-2-13-4-3-11-7(8(13)14)12-5-6(9)10/h3-4,6H,2,5H2,1H3,(H,11,12)
InChIKeyLQHXTPKLNYTWJA-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-hydroxypropanamide
CID 106170778
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226468
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
CID 154733887
1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one
CID 62929883

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one (CID 115407571) is 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one is CCn1ccnc(NCC(F)F)c1=O.
What is the InChIKey of 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one?
The InChIKey is LQHXTPKLNYTWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-2-13-4-3-11-7(8(13)14)12-5-6(9)10/h3-4,6H,2,5H2,1H3,(H,11,12).
What are the key properties of 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one?
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one has a molecular weight of 203.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one is sourced from PubChem (CID 115407571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).