methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate

C12H18N2O5 — CID 114059688

IUPACmethyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate
SMILESCOCCOCCCOc1cnc(C(=O)OC)cn1
InChIInChI=1S/C12H18N2O5/c1-16-6-7-18-4-3-5-19-11-9-13-10(8-14-11)12(15)17-2/h8-9H,3-7H2,1-2H3
InChIKeyDYIXTSCSRKQCBD-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.70
Rot. Bonds9

About methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate

methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate (PubChem CID 114059688) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate
PubChem CID114059688
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate
SMILESCOCCOCCCOc1cnc(C(=O)OC)cn1
InChIInChI=1S/C12H18N2O5/c1-16-6-7-18-4-3-5-19-11-9-13-10(8-14-11)12(15)17-2/h8-9H,3-7H2,1-2H3
InChIKeyDYIXTSCSRKQCBD-UHFFFAOYSA-N
XLogP0.70
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine
CID 107382552
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
methyl 5-dimethylphosphorylpyrazine-2-carboxylate
CID 155822317
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
methyl 5-(4-chlorophenoxy)pyrazine-2-carboxylate
CID 114059645
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
6-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176771
5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103179380
5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
CID 122054723
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate (CID 114059688) is methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate is COCCOCCCOc1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate?
The InChIKey is DYIXTSCSRKQCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-16-6-7-18-4-3-5-19-11-9-13-10(8-14-11)12(15)17-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate?
methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 114059688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).