methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate

C12H18N2O4 — CID 106447133

IUPACmethyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCCOCC(C)C)n1
InChIInChI=1S/C12H18N2O4/c1-9(2)8-17-4-5-18-11-7-13-6-10(14-11)12(15)16-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyKSOIHVWTJLCIJB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.31
Rot. Bonds7

About methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate

methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate (PubChem CID 106447133) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
PubChem CID106447133
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCCOCC(C)C)n1
InChIInChI=1S/C12H18N2O4/c1-9(2)8-17-4-5-18-11-7-13-6-10(14-11)12(15)16-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyKSOIHVWTJLCIJB-UHFFFAOYSA-N
XLogP1.31
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate (CID 106447133) is methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate is COC(=O)c1cncc(OCCOCC(C)C)n1.
What is the InChIKey of methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate?
The InChIKey is KSOIHVWTJLCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9(2)8-17-4-5-18-11-7-13-6-10(14-11)12(15)16-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate?
methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 106447133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).