methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate

C10H14N2O3 — CID 66456879

IUPACmethyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCC(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-7(2)6-15-9-5-11-4-8(12-9)10(13)14-3/h4-5,7H,6H2,1-3H3
InChIKeyFSUVCQAZZZYTHU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.30
Rot. Bonds4

About methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate

methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate (PubChem CID 66456879) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
PubChem CID66456879
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCC(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-7(2)6-15-9-5-11-4-8(12-9)10(13)14-3/h4-5,7H,6H2,1-3H3
InChIKeyFSUVCQAZZZYTHU-UHFFFAOYSA-N
XLogP1.30
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
CID 106447133
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
methyl 6-[3-(propan-2-ylamino)propoxy]pyrazine-2-carboxylate
CID 66455846
methyl 6-(4,4,4-trifluorobutoxy)pyrazine-2-carboxylate
CID 82787869
methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate
CID 82827835
methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate
CID 66457826
[6-(2-methylpropoxy)pyrazin-2-yl]methanol
CID 66467542
6-ethoxy-N-propan-2-ylpyrazine-2-carboxamide
CID 176998617
6-(3-methylbutoxy)pyrazine-2-carboxylic acid
CID 66456478
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate
CID 114197051
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate (CID 66456879) is methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate is COC(=O)c1cncc(OCC(C)C)n1.
What is the InChIKey of methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate?
The InChIKey is FSUVCQAZZZYTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)6-15-9-5-11-4-8(12-9)10(13)14-3/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate?
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 66456879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).