3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one

C16H20N2O2 — CID 133447258

IUPAC3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2cccc(C(C)(C)C)c2)c1=O
InChIInChI=1S/C16H20N2O2/c1-5-18-10-9-17-14(15(18)19)20-13-8-6-7-12(11-13)16(2,3)4/h6-11H,5H2,1-4H3
InChIKeyMYJKFLNGONEUGV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.35
Rot. Bonds3

About 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one

3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one (PubChem CID 133447258) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
PubChem CID133447258
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2cccc(C(C)(C)C)c2)c1=O
InChIInChI=1S/C16H20N2O2/c1-5-18-10-9-17-14(15(18)19)20-13-8-6-7-12(11-13)16(2,3)4/h6-11H,5H2,1-4H3
InChIKeyMYJKFLNGONEUGV-UHFFFAOYSA-N
XLogP3.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
CID 107672576
1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
CID 133447202
3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one
CID 113458315
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one
CID 133459466
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
CID 115928484
2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
CID 62929919
3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
CID 133476976
3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253
3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one
CID 102724747

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one (CID 133447258) is 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one is CCn1ccnc(Oc2cccc(C(C)(C)C)c2)c1=O.
What is the InChIKey of 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one?
The InChIKey is MYJKFLNGONEUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-18-10-9-17-14(15(18)19)20-13-8-6-7-12(11-13)16(2,3)4/h6-11H,5H2,1-4H3.
What are the key properties of 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one?
3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one has a molecular weight of 272.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one is sourced from PubChem (CID 133447258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).