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

C11H18N2 — CID 519566

IUPAC2,3-dimethyl-5-(3-methylbutyl)pyrazine
SMILESCc1ncc(CCC(C)C)nc1C
InChIInChI=1S/C11H18N2/c1-8(2)5-6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
InChIKeyOGUJUYCURMHXHG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.68
Rot. Bonds3

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

2,3-dimethyl-5-(3-methylbutyl)pyrazine (PubChem CID 519566) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3-dimethyl-5-(3-methylbutyl)pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-(3-methylbutyl)pyrazine
PubChem CID519566
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3-dimethyl-5-(3-methylbutyl)pyrazine
SMILESCc1ncc(CCC(C)C)nc1C
InChIInChI=1S/C11H18N2/c1-8(2)5-6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
InChIKeyOGUJUYCURMHXHG-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-5-(3-methylbutyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(3-methylbutyl)pyrazine?
The IUPAC name of 2,3-dimethyl-5-(3-methylbutyl)pyrazine (CID 519566) is 2,3-dimethyl-5-(3-methylbutyl)pyrazine.
What is the SMILES notation for 2,3-dimethyl-5-(3-methylbutyl)pyrazine?
The canonical SMILES for 2,3-dimethyl-5-(3-methylbutyl)pyrazine is Cc1ncc(CCC(C)C)nc1C.
What is the InChIKey of 2,3-dimethyl-5-(3-methylbutyl)pyrazine?
The InChIKey is OGUJUYCURMHXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)5-6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-(3-methylbutyl)pyrazine?
2,3-dimethyl-5-(3-methylbutyl)pyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(3-methylbutyl)pyrazine is sourced from PubChem (CID 519566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).