2-(4-methylpentyl)pyrazine

C10H16N2 — CID 57339820

IUPAC2-(4-methylpentyl)pyrazine
SMILESCC(C)CCCc1cnccn1
InChIInChI=1S/C10H16N2/c1-9(2)4-3-5-10-8-11-6-7-12-10/h6-9H,3-5H2,1-2H3
InChIKeyRQKKGGNHKZAOOG-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-methylpentyl)pyrazine

2-(4-methylpentyl)pyrazine (PubChem CID 57339820) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(4-methylpentyl)pyrazine.

Molecular Properties

Compound Name2-(4-methylpentyl)pyrazine
PubChem CID57339820
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(4-methylpentyl)pyrazine
SMILESCC(C)CCCc1cnccn1
InChIInChI=1S/C10H16N2/c1-9(2)4-3-5-10-8-11-6-7-12-10/h6-9H,3-5H2,1-2H3
InChIKeyRQKKGGNHKZAOOG-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)pyrazine?
The IUPAC name of 2-(4-methylpentyl)pyrazine (CID 57339820) is 2-(4-methylpentyl)pyrazine.
What is the SMILES notation for 2-(4-methylpentyl)pyrazine?
The canonical SMILES for 2-(4-methylpentyl)pyrazine is CC(C)CCCc1cnccn1.
What is the InChIKey of 2-(4-methylpentyl)pyrazine?
The InChIKey is RQKKGGNHKZAOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)4-3-5-10-8-11-6-7-12-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-(4-methylpentyl)pyrazine?
2-(4-methylpentyl)pyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)pyrazine is sourced from PubChem (CID 57339820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).