3,5-dimethoxy-1H-pyrazin-2-one

C6H8N2O3 — CID 20528958

IUPAC3,5-dimethoxy-1H-pyrazin-2-one
SMILESCOc1c[nH]c(=O)c(OC)n1
InChIInChI=1S/C6H8N2O3/c1-10-4-3-7-5(9)6(8-4)11-2/h3H,1-2H3,(H,7,9)
InChIKeyQLGALDYJTQWWSE-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.21
Rot. Bonds2

About 3,5-dimethoxy-1H-pyrazin-2-one

3,5-dimethoxy-1H-pyrazin-2-one (PubChem CID 20528958) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3,5-dimethoxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,5-dimethoxy-1H-pyrazin-2-one
PubChem CID20528958
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3,5-dimethoxy-1H-pyrazin-2-one
SMILESCOc1c[nH]c(=O)c(OC)n1
InChIInChI=1S/C6H8N2O3/c1-10-4-3-7-5(9)6(8-4)11-2/h3H,1-2H3,(H,7,9)
InChIKeyQLGALDYJTQWWSE-UHFFFAOYSA-N
XLogP-0.21
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxypyrazin-2(1h)-one
CID 10374468
3-Ethoxy-1,2-dihydropyrazin-2-one
CID 55299203
3-Methoxy-1-methylpyrazin-2-one
CID 57541046
5-Bromo-3-methoxypyrazin-2(1H)-one
CID 71307628
5-Chloro-3-methoxy-1,2-dihydropyrazin-2-one
CID 131855593
ethane;3-methoxy-1H-pyrazin-2-one
CID 144307201
5-bromo-3-(trideuteriomethoxy)-1H-pyrazin-2-one
CID 178562581
5-bromo-3-ethoxy-1H-pyrazin-2-one
CID 178562820
3-(Trideuteriomethoxy)-1-(trideuteriomethyl)pyrazin-2-one
CID 179090491
3-Methoxy-1-(trideuteriomethyl)pyrazin-2-one
CID 179094279
1-Methyl-3-(trideuteriomethoxy)pyrazin-2-one
CID 179094405
1-Methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
CID 62940277

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1H-pyrazin-2-one?
The IUPAC name of 3,5-dimethoxy-1H-pyrazin-2-one (CID 20528958) is 3,5-dimethoxy-1H-pyrazin-2-one.
What is the SMILES notation for 3,5-dimethoxy-1H-pyrazin-2-one?
The canonical SMILES for 3,5-dimethoxy-1H-pyrazin-2-one is COc1c[nH]c(=O)c(OC)n1.
What is the InChIKey of 3,5-dimethoxy-1H-pyrazin-2-one?
The InChIKey is QLGALDYJTQWWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-10-4-3-7-5(9)6(8-4)11-2/h3H,1-2H3,(H,7,9).
What are the key properties of 3,5-dimethoxy-1H-pyrazin-2-one?
3,5-dimethoxy-1H-pyrazin-2-one has a molecular weight of 156.14 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1H-pyrazin-2-one is sourced from PubChem (CID 20528958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).