2,3,5-trimethyl-6-(2-methylpropyl)pyrazine

C11H18N2 — CID 521191

IUPAC2,3,5-trimethyl-6-(2-methylpropyl)pyrazine
SMILESCc1nc(C)c(CC(C)C)nc1C
InChIInChI=1S/C11H18N2/c1-7(2)6-11-10(5)12-8(3)9(4)13-11/h7H,6H2,1-5H3
InChIKeyCMCOFWHSAGPVSF-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds2

About 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine

2,3,5-trimethyl-6-(2-methylpropyl)pyrazine (PubChem CID 521191) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-(2-methylpropyl)pyrazine
PubChem CID521191
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3,5-trimethyl-6-(2-methylpropyl)pyrazine
SMILESCc1nc(C)c(CC(C)C)nc1C
InChIInChI=1S/C11H18N2/c1-7(2)6-11-10(5)12-8(3)9(4)13-11/h7H,6H2,1-5H3
InChIKeyCMCOFWHSAGPVSF-UHFFFAOYSA-N
XLogP2.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine?
The IUPAC name of 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine (CID 521191) is 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine.
What is the SMILES notation for 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine?
The canonical SMILES for 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine is Cc1nc(C)c(CC(C)C)nc1C.
What is the InChIKey of 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine?
The InChIKey is CMCOFWHSAGPVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7(2)6-11-10(5)12-8(3)9(4)13-11/h7H,6H2,1-5H3.
What are the key properties of 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine?
2,3,5-trimethyl-6-(2-methylpropyl)pyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-(2-methylpropyl)pyrazine is sourced from PubChem (CID 521191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).