1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol

C14H24N2O2 — CID 91591369

IUPAC1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol
SMILESCCC(CC)(CC)COc1cnc(C(C)O)cn1
InChIInChI=1S/C14H24N2O2/c1-5-14(6-2,7-3)10-18-13-9-15-12(8-16-13)11(4)17/h8-9,11,17H,5-7,10H2,1-4H3
InChIKeyHLJUQOOVLAPUOI-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.13
Rot. Bonds7

About 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol

1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol (PubChem CID 91591369) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol
PubChem CID91591369
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol
SMILESCCC(CC)(CC)COc1cnc(C(C)O)cn1
InChIInChI=1S/C14H24N2O2/c1-5-14(6-2,7-3)10-18-13-9-15-12(8-16-13)11(4)17/h8-9,11,17H,5-7,10H2,1-4H3
InChIKeyHLJUQOOVLAPUOI-UHFFFAOYSA-N
XLogP3.13
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyrazin-2-yl)methanol
CID 104564158
1-(3-Fluoro-5-methoxy-pyrazin-2-yl)-ethanol
CID 11378762
2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol
CID 178170942
[6-(1,1,1-Trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
CID 66465723
[5-(1,1,1-Trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
CID 107373209
2-Tert-butyl-5-(2-fluoropropoxy)pyrazine
CID 161323457
2-Tert-butyl-5-propan-2-yloxypyrazine
CID 58088002
2-Propan-2-yl-5-propoxypyrazine
CID 58448449
2-Butoxy-5-propan-2-ylpyrazine
CID 58448856
4-(5-Propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol
CID 58449012
2-(2-Methylpropoxy)-5-propan-2-ylpyrazine
CID 58449073
1-(6-Propan-2-ylpyrazin-2-yl)oxybutan-2-ol
CID 58552848

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol?
The IUPAC name of 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol (CID 91591369) is 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol is CCC(CC)(CC)COc1cnc(C(C)O)cn1.
What is the InChIKey of 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol?
The InChIKey is HLJUQOOVLAPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-14(6-2,7-3)10-18-13-9-15-12(8-16-13)11(4)17/h8-9,11,17H,5-7,10H2,1-4H3.
What are the key properties of 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol?
1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-diethylbutoxy)pyrazin-2-yl]ethanol is sourced from PubChem (CID 91591369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).