2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one

C10H14N2O2 — CID 103447153

IUPAC2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
SMILESCCC(O)(CC)C(=O)c1cnccn1
InChIInChI=1S/C10H14N2O2/c1-3-10(14,4-2)9(13)8-7-11-5-6-12-8/h5-7,14H,3-4H2,1-2H3
InChIKeySTPUYVJHIBUZMO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.21
Rot. Bonds4

About 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one

2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one (PubChem CID 103447153) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
PubChem CID103447153
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
SMILESCCC(O)(CC)C(=O)c1cnccn1
InChIInChI=1S/C10H14N2O2/c1-3-10(14,4-2)9(13)8-7-11-5-6-12-8/h5-7,14H,3-4H2,1-2H3
InChIKeySTPUYVJHIBUZMO-UHFFFAOYSA-N
XLogP1.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
CID 116603866
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
CID 79063034
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
2-amino-1-pyrazin-2-ylbutan-1-one
CID 116584056
1-pyrazin-2-ylhexan-1-one
CID 22507174
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006
2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
CID 65136340
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one
CID 79045873

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one (CID 103447153) is 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one is CCC(O)(CC)C(=O)c1cnccn1.
What is the InChIKey of 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one?
The InChIKey is STPUYVJHIBUZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-10(14,4-2)9(13)8-7-11-5-6-12-8/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one?
2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 103447153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).