1-ethylpyrazin-2-one

C6H8N2O — CID 23061416

IUPAC1-ethylpyrazin-2-one
SMILESCCn1ccncc1=O
InChIInChI=1S/C6H8N2O/c1-2-8-4-3-7-5-6(8)9/h3-5H,2H2,1H3
InChIKeyFPRZAXXFOIUVAW-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.26
Rot. Bonds1

About 1-ethylpyrazin-2-one

1-ethylpyrazin-2-one (PubChem CID 23061416) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-ethylpyrazin-2-one.

Molecular Properties

Compound Name1-ethylpyrazin-2-one
PubChem CID23061416
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-ethylpyrazin-2-one
SMILESCCn1ccncc1=O
InChIInChI=1S/C6H8N2O/c1-2-8-4-3-7-5-6(8)9/h3-5H,2H2,1H3
InChIKeyFPRZAXXFOIUVAW-UHFFFAOYSA-N
XLogP0.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetylpyrazine
CID 69349347
1,6-dimethyl-2(1H)-pyrazinone
CID 6428850
1-methyl-2(1H)-pyrazinone
CID 11228773
1-(2,2,2-Trifluoroethyl)pyrazin-2-one
CID 130538582
1-(Fluoromethyl)pyrazin-2-one
CID 140989634
1-(2-fluoro-2H-pyrazin-1-yl)ethanone
CID 152147948
N-acetyl pyrazinone
CID 129737398
1-(2-Fluorobutyl)pyrazin-2-one
CID 130645013
1-Methyl-4-oxidopyrazin-4-ium-2-one
CID 12671461
1-Tert-butylpyrazin-2-one
CID 20658707
1-Propan-2-ylpyrazin-2-one
CID 57640411
CID 58064056
CID 58064056

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazin-2-one?
The IUPAC name of 1-ethylpyrazin-2-one (CID 23061416) is 1-ethylpyrazin-2-one.
What is the SMILES notation for 1-ethylpyrazin-2-one?
The canonical SMILES for 1-ethylpyrazin-2-one is CCn1ccncc1=O.
What is the InChIKey of 1-ethylpyrazin-2-one?
The InChIKey is FPRZAXXFOIUVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-8-4-3-7-5-6(8)9/h3-5H,2H2,1H3.
What are the key properties of 1-ethylpyrazin-2-one?
1-ethylpyrazin-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazin-2-one is sourced from PubChem (CID 23061416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).