2-Methyl-3-octan-4-ylpyrazine

C₁₃H₂₂N₂ — CID 144869525

About 2-Methyl-3-octan-4-ylpyrazine

2-Methyl-3-octan-4-ylpyrazine (PubChem CID 144869525) has the molecular formula C₁₃H₂₂N₂ and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-3-octan-4-ylpyrazine.

Molecular Properties

• Compound Name: 2-Methyl-3-octan-4-ylpyrazine
• PubChem CID: 144869525
• Molecular Formula: C₁₃H₂₂N₂
• Molecular Weight: 206.33 g/mol
• Exact Mass: 206.18
• IUPAC Name: 2-methyl-3-octan-4-ylpyrazine
• SMILES: CCCCC(CCC)c1nccnc1C
• InChI: InChI=1S/C13H22N2/c1-4-6-8-12(7-5-2)13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3
• InChIKey: XKOHXEJTNHJUGS-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.33
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-3-octan-4-ylpyrazine?

The IUPAC name of 2-Methyl-3-octan-4-ylpyrazine (CID 144869525) is 2-methyl-3-octan-4-ylpyrazine.

What is the SMILES notation for 2-Methyl-3-octan-4-ylpyrazine?

The canonical SMILES for 2-Methyl-3-octan-4-ylpyrazine is CCCCC(CCC)c1nccnc1C.

What is the InChIKey of 2-Methyl-3-octan-4-ylpyrazine?

The InChIKey is XKOHXEJTNHJUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-8-12(7-5-2)13-11(3)14-9-10-15-13/h9-10,12H,4-8H2,1-3H3.

What are the key properties of 2-Methyl-3-octan-4-ylpyrazine?

2-Methyl-3-octan-4-ylpyrazine has a molecular weight of 206.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Methyl-3-octan-4-ylpyrazine is sourced from PubChem (CID 144869525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144869525 — identifiers, structure, computed properties (public domain)

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