5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid

C12H18N2O6 — CID 104567375

IUPAC5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
SMILESCOCCOCCOCCOc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O6/c1-17-2-3-18-4-5-19-6-7-20-11-9-13-10(8-14-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyIVDADWGVXBNCMU-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.23
Rot. Bonds11

About 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid (PubChem CID 104567375) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
PubChem CID104567375
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
SMILESCOCCOCCOCCOc1cnc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O6/c1-17-2-3-18-4-5-19-6-7-20-11-9-13-10(8-14-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyIVDADWGVXBNCMU-UHFFFAOYSA-N
XLogP0.23
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate
CID 114059688
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
CID 122054723
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685418
5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048923
6-(3-methoxypropoxy)pyrazine-2-carboxylic acid
CID 66455715
N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine
CID 107382552
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560467
2-(2-methoxyethoxy)-5-methylsulfanylpyrazine
CID 137474680
2-tert-butyl-5-(2-methoxyethoxy)pyrazine
CID 135302140
5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid
CID 90389464

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid (CID 104567375) is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid is COCCOCCOCCOc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid?
The InChIKey is IVDADWGVXBNCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-17-2-3-18-4-5-19-6-7-20-11-9-13-10(8-14-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid?
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of 0.23, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 104567375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).