2,5-dimethyl-3-(2-methylpropyl)pyrazine

C10H16N2 — CID 520585

IUPAC2,5-dimethyl-3-(2-methylpropyl)pyrazine
SMILESCc1cnc(C)c(CC(C)C)n1
InChIInChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3
InChIKeyKEJOEQXAEQCAKT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.29
Rot. Bonds2

About 2,5-dimethyl-3-(2-methylpropyl)pyrazine

2,5-dimethyl-3-(2-methylpropyl)pyrazine (PubChem CID 520585) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-(2-methylpropyl)pyrazine
PubChem CID520585
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,5-dimethyl-3-(2-methylpropyl)pyrazine
SMILESCc1cnc(C)c(CC(C)C)n1
InChIInChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3
InChIKeyKEJOEQXAEQCAKT-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2-methylpropyl)pyrazine?
The IUPAC name of 2,5-dimethyl-3-(2-methylpropyl)pyrazine (CID 520585) is 2,5-dimethyl-3-(2-methylpropyl)pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-(2-methylpropyl)pyrazine?
The canonical SMILES for 2,5-dimethyl-3-(2-methylpropyl)pyrazine is Cc1cnc(C)c(CC(C)C)n1.
What is the InChIKey of 2,5-dimethyl-3-(2-methylpropyl)pyrazine?
The InChIKey is KEJOEQXAEQCAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-(2-methylpropyl)pyrazine?
2,5-dimethyl-3-(2-methylpropyl)pyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2-methylpropyl)pyrazine is sourced from PubChem (CID 520585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).