5-butan-2-yl-3-ethyl-2-methylpyrazine

C11H18N2 — CID 55254891

IUPAC5-butan-2-yl-3-ethyl-2-methylpyrazine
SMILESCCc1nc(C(C)CC)cnc1C
InChIInChI=1S/C11H18N2/c1-5-8(3)11-7-12-9(4)10(6-2)13-11/h7-8H,5-6H2,1-4H3
InChIKeyUEGAGBLRFJLIDC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.86
Rot. Bonds3

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

5-butan-2-yl-3-ethyl-2-methylpyrazine (PubChem CID 55254891) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-butan-2-yl-3-ethyl-2-methylpyrazine.

Molecular Properties

Compound Name5-butan-2-yl-3-ethyl-2-methylpyrazine
PubChem CID55254891
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-butan-2-yl-3-ethyl-2-methylpyrazine
SMILESCCc1nc(C(C)CC)cnc1C
InChIInChI=1S/C11H18N2/c1-5-8(3)11-7-12-9(4)10(6-2)13-11/h7-8H,5-6H2,1-4H3
InChIKeyUEGAGBLRFJLIDC-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-ethyl-2-methylpyrazine?
The IUPAC name of 5-butan-2-yl-3-ethyl-2-methylpyrazine (CID 55254891) is 5-butan-2-yl-3-ethyl-2-methylpyrazine.
What is the SMILES notation for 5-butan-2-yl-3-ethyl-2-methylpyrazine?
The canonical SMILES for 5-butan-2-yl-3-ethyl-2-methylpyrazine is CCc1nc(C(C)CC)cnc1C.
What is the InChIKey of 5-butan-2-yl-3-ethyl-2-methylpyrazine?
The InChIKey is UEGAGBLRFJLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-8(3)11-7-12-9(4)10(6-2)13-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-ethyl-2-methylpyrazine?
5-butan-2-yl-3-ethyl-2-methylpyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-ethyl-2-methylpyrazine is sourced from PubChem (CID 55254891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).