3-butan-2-yl-2-methoxy-5-methylpyrazine

C10H16N2O — CID 15590167

IUPAC3-butan-2-yl-2-methoxy-5-methylpyrazine
SMILESCCC(C)c1nc(C)cnc1OC
InChIInChI=1S/C10H16N2O/c1-5-7(2)9-10(13-4)11-6-8(3)12-9/h6-7H,5H2,1-4H3
InChIKeyVPZHXSRAUPOUQO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.31
Rot. Bonds3

About 3-butan-2-yl-2-methoxy-5-methylpyrazine

3-butan-2-yl-2-methoxy-5-methylpyrazine (PubChem CID 15590167) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-butan-2-yl-2-methoxy-5-methylpyrazine.

Molecular Properties

Compound Name3-butan-2-yl-2-methoxy-5-methylpyrazine
PubChem CID15590167
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-butan-2-yl-2-methoxy-5-methylpyrazine
SMILESCCC(C)c1nc(C)cnc1OC
InChIInChI=1S/C10H16N2O/c1-5-7(2)9-10(13-4)11-6-8(3)12-9/h6-7H,5H2,1-4H3
InChIKeyVPZHXSRAUPOUQO-UHFFFAOYSA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methoxy-5-methylpyrazine?
The IUPAC name of 3-butan-2-yl-2-methoxy-5-methylpyrazine (CID 15590167) is 3-butan-2-yl-2-methoxy-5-methylpyrazine.
What is the SMILES notation for 3-butan-2-yl-2-methoxy-5-methylpyrazine?
The canonical SMILES for 3-butan-2-yl-2-methoxy-5-methylpyrazine is CCC(C)c1nc(C)cnc1OC.
What is the InChIKey of 3-butan-2-yl-2-methoxy-5-methylpyrazine?
The InChIKey is VPZHXSRAUPOUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7(2)9-10(13-4)11-6-8(3)12-9/h6-7H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-2-methoxy-5-methylpyrazine?
3-butan-2-yl-2-methoxy-5-methylpyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methoxy-5-methylpyrazine is sourced from PubChem (CID 15590167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).