2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one

C13H21N3O — CID 79063034

IUPAC2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cnccn1
InChIInChI=1S/C13H21N3O/c1-5-13(4,16(6-2)7-3)12(17)11-10-14-8-9-15-11/h8-10H,5-7H2,1-4H3
InChIKeyFTQBKRGTKOTRQC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds6

About 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one

2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one (PubChem CID 79063034) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
PubChem CID79063034
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cnccn1
InChIInChI=1S/C13H21N3O/c1-5-13(4,16(6-2)7-3)12(17)11-10-14-8-9-15-11/h8-10H,5-7H2,1-4H3
InChIKeyFTQBKRGTKOTRQC-UHFFFAOYSA-N
XLogP2.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
CID 116603866
2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
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2-(diethylamino)-2-methyl-1-(3-methyltriazol-4-yl)butan-1-one
CID 114685974
N-tert-butylpyrazine-2-carbohydrazide
CID 23165237
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol
CID 79064252
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one
CID 79045873
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one (CID 79063034) is 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1cnccn1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one?
The InChIKey is FTQBKRGTKOTRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-13(4,16(6-2)7-3)12(17)11-10-14-8-9-15-11/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one?
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 79063034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).