3-bromo-1-ethylpyrazin-2-one

C6H7BrN2O — CID 59085559

IUPAC3-bromo-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Br)c1=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-4-3-8-5(7)6(9)10/h3-4H,2H2,1H3
InChIKeyXNOCNMYULGAXGV-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.03
Rot. Bonds1

About 3-bromo-1-ethylpyrazin-2-one

3-bromo-1-ethylpyrazin-2-one (PubChem CID 59085559) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 3-bromo-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-bromo-1-ethylpyrazin-2-one
PubChem CID59085559
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name3-bromo-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Br)c1=O
InChIInChI=1S/C6H7BrN2O/c1-2-9-4-3-8-5(7)6(9)10/h3-4H,2H2,1H3
InChIKeyXNOCNMYULGAXGV-UHFFFAOYSA-N
XLogP1.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-methylpyrazin-2-one
CID 90291055
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
CID 133476976
3-[(4-bromophenyl)methyl-methylamino]-1-ethylpyrazin-2-one
CID 133447307
1-ethyl-2-nitroimidazole
CID 19802537
3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
CID 80673737
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethylpyrazin-2-one?
The IUPAC name of 3-bromo-1-ethylpyrazin-2-one (CID 59085559) is 3-bromo-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-bromo-1-ethylpyrazin-2-one?
The canonical SMILES for 3-bromo-1-ethylpyrazin-2-one is CCn1ccnc(Br)c1=O.
What is the InChIKey of 3-bromo-1-ethylpyrazin-2-one?
The InChIKey is XNOCNMYULGAXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-9-4-3-8-5(7)6(9)10/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-1-ethylpyrazin-2-one?
3-bromo-1-ethylpyrazin-2-one has a molecular weight of 203.04 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethylpyrazin-2-one is sourced from PubChem (CID 59085559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).