2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol

C12H20N2O2 — CID 116752667

IUPAC2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cnccn1
InChIInChI=1S/C12H20N2O2/c1-4-12(5-2,16-6-3)11(15)10-9-13-7-8-14-10/h7-9,11,15H,4-6H2,1-3H3
InChIKeyHKYKRQIFPALGGK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.11
Rot. Bonds6

About 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol

2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol (PubChem CID 116752667) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol
PubChem CID116752667
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cnccn1
InChIInChI=1S/C12H20N2O2/c1-4-12(5-2,16-6-3)11(15)10-9-13-7-8-14-10/h7-9,11,15H,4-6H2,1-3H3
InChIKeyHKYKRQIFPALGGK-UHFFFAOYSA-N
XLogP2.11
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol (CID 116752667) is 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol is CCOC(CC)(CC)C(O)c1cnccn1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
The InChIKey is HKYKRQIFPALGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(5-2,16-6-3)11(15)10-9-13-7-8-14-10/h7-9,11,15H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol?
2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 116752667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).