2-(3-methylbutyl)pyrazine

C9H14N2 — CID 521012

IUPAC2-(3-methylbutyl)pyrazine
SMILESCC(C)CCc1cnccn1
InChIInChI=1S/C9H14N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3
InChIKeyILKAUWPPPOYQHF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.07
Rot. Bonds3

About 2-(3-methylbutyl)pyrazine

2-(3-methylbutyl)pyrazine (PubChem CID 521012) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(3-methylbutyl)pyrazine.

Molecular Properties

Compound Name2-(3-methylbutyl)pyrazine
PubChem CID521012
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(3-methylbutyl)pyrazine
SMILESCC(C)CCc1cnccn1
InChIInChI=1S/C9H14N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3
InChIKeyILKAUWPPPOYQHF-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)pyrazine?
The IUPAC name of 2-(3-methylbutyl)pyrazine (CID 521012) is 2-(3-methylbutyl)pyrazine.
What is the SMILES notation for 2-(3-methylbutyl)pyrazine?
The canonical SMILES for 2-(3-methylbutyl)pyrazine is CC(C)CCc1cnccn1.
What is the InChIKey of 2-(3-methylbutyl)pyrazine?
The InChIKey is ILKAUWPPPOYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)pyrazine?
2-(3-methylbutyl)pyrazine has a molecular weight of 150.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)pyrazine is sourced from PubChem (CID 521012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).