2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine

C12H20N2O — CID 528115

IUPAC2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine
SMILESCCOc1ncc(CC(C)CC)nc1C
InChIInChI=1S/C12H20N2O/c1-5-9(3)7-11-8-13-12(15-6-2)10(4)14-11/h8-9H,5-7H2,1-4H3
InChIKeyMGDZRKFPZNBRCH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.77
Rot. Bonds5

About 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine

2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine (PubChem CID 528115) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine
PubChem CID528115
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine
SMILESCCOc1ncc(CC(C)CC)nc1C
InChIInChI=1S/C12H20N2O/c1-5-9(3)7-11-8-13-12(15-6-2)10(4)14-11/h8-9H,5-7H2,1-4H3
InChIKeyMGDZRKFPZNBRCH-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine?
The IUPAC name of 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine (CID 528115) is 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine.
What is the SMILES notation for 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine?
The canonical SMILES for 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine is CCOc1ncc(CC(C)CC)nc1C.
What is the InChIKey of 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine?
The InChIKey is MGDZRKFPZNBRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-9(3)7-11-8-13-12(15-6-2)10(4)14-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine?
2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine has a molecular weight of 208.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-5-(2-methylbutyl)pyrazine is sourced from PubChem (CID 528115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).