3-ethoxy-1H-pyrazin-2-one

C6H8N2O2 — CID 55299203

IUPAC3-ethoxy-1H-pyrazin-2-one
SMILESCCOc1ncc[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-2-10-6-5(9)7-3-4-8-6/h3-4H,2H2,1H3,(H,7,9)
InChIKeyBJNSGXVUMVZNBG-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds2

About 3-ethoxy-1H-pyrazin-2-one

3-ethoxy-1H-pyrazin-2-one (PubChem CID 55299203) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-ethoxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-ethoxy-1H-pyrazin-2-one
PubChem CID55299203
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-ethoxy-1H-pyrazin-2-one
SMILESCCOc1ncc[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-2-10-6-5(9)7-3-4-8-6/h3-4H,2H2,1H3,(H,7,9)
InChIKeyBJNSGXVUMVZNBG-UHFFFAOYSA-N
XLogP0.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxypyrazin-2(1h)-one
CID 10374468
N-ethenyl-2-methoxyacetamide
CID 55288202
3-(2,2,3,3-tetrafluoropropoxy)-1H-pyrazin-2-one
CID 103240402
3-(2,2,2-Trifluoroethoxy)pyrazin-2-ol
CID 103240547
3-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrazin-2-one
CID 103241788
3-(2,2-difluoroethoxy)-1H-pyrazin-2-one
CID 103241903
3-(4,4,4-trifluorobutoxy)-1H-pyrazin-2-one
CID 103241912
3-(3,3,3-trifluoropropoxy)-1H-pyrazin-2-one
CID 103241925
2-Hydroxy-3,5-dimethoxypyrazine
CID 20528958
3-Methoxy-1-methylpyrazin-2-one
CID 57541046
5-Bromo-3-methoxypyrazin-2(1H)-one
CID 71307628
2-(2-ethenyliminoethoxy)-N-methylacetamide
CID 90248729

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1H-pyrazin-2-one?
The IUPAC name of 3-ethoxy-1H-pyrazin-2-one (CID 55299203) is 3-ethoxy-1H-pyrazin-2-one.
What is the SMILES notation for 3-ethoxy-1H-pyrazin-2-one?
The canonical SMILES for 3-ethoxy-1H-pyrazin-2-one is CCOc1ncc[nH]c1=O.
What is the InChIKey of 3-ethoxy-1H-pyrazin-2-one?
The InChIKey is BJNSGXVUMVZNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-10-6-5(9)7-3-4-8-6/h3-4H,2H2,1H3,(H,7,9).
What are the key properties of 3-ethoxy-1H-pyrazin-2-one?
3-ethoxy-1H-pyrazin-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1H-pyrazin-2-one is sourced from PubChem (CID 55299203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).