2-butan-2-yl-3-methoxypyrazine

C9H14N2O — CID 520098

IUPAC2-butan-2-yl-3-methoxypyrazine
SMILESCCC(C)c1nccnc1OC
InChIInChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
InChIKeyQMQDJVIJVPEQHE-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.00
Rot. Bonds3

About 2-butan-2-yl-3-methoxypyrazine

2-butan-2-yl-3-methoxypyrazine (PubChem CID 520098) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-butan-2-yl-3-methoxypyrazine.

Molecular Properties

Compound Name2-butan-2-yl-3-methoxypyrazine
PubChem CID520098
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-butan-2-yl-3-methoxypyrazine
SMILESCCC(C)c1nccnc1OC
InChIInChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
InChIKeyQMQDJVIJVPEQHE-UHFFFAOYSA-N
XLogP2.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-methoxypyrazine?
The IUPAC name of 2-butan-2-yl-3-methoxypyrazine (CID 520098) is 2-butan-2-yl-3-methoxypyrazine.
What is the SMILES notation for 2-butan-2-yl-3-methoxypyrazine?
The canonical SMILES for 2-butan-2-yl-3-methoxypyrazine is CCC(C)c1nccnc1OC.
What is the InChIKey of 2-butan-2-yl-3-methoxypyrazine?
The InChIKey is QMQDJVIJVPEQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-3-methoxypyrazine?
2-butan-2-yl-3-methoxypyrazine has a molecular weight of 166.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-methoxypyrazine is sourced from PubChem (CID 520098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).