2-methyl-3-pentylpyrazine

C10H16N2 — CID 6428777

IUPAC2-methyl-3-pentylpyrazine
SMILESCCCCCc1nccnc1C
InChIInChI=1S/C10H16N2/c1-3-4-5-6-10-9(2)11-7-8-12-10/h7-8H,3-6H2,1-2H3
InChIKeyQMXAEKJJOCHFOV-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-3-pentylpyrazine

2-methyl-3-pentylpyrazine (PubChem CID 6428777) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-3-pentylpyrazine.

Molecular Properties

Compound Name2-methyl-3-pentylpyrazine
PubChem CID6428777
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-methyl-3-pentylpyrazine
SMILESCCCCCc1nccnc1C
InChIInChI=1S/C10H16N2/c1-3-4-5-6-10-9(2)11-7-8-12-10/h7-8H,3-6H2,1-2H3
InChIKeyQMXAEKJJOCHFOV-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentylpyrazine?
The IUPAC name of 2-methyl-3-pentylpyrazine (CID 6428777) is 2-methyl-3-pentylpyrazine.
What is the SMILES notation for 2-methyl-3-pentylpyrazine?
The canonical SMILES for 2-methyl-3-pentylpyrazine is CCCCCc1nccnc1C.
What is the InChIKey of 2-methyl-3-pentylpyrazine?
The InChIKey is QMXAEKJJOCHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-5-6-10-9(2)11-7-8-12-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-pentylpyrazine?
2-methyl-3-pentylpyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentylpyrazine is sourced from PubChem (CID 6428777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).