2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine

C11H17ClN2 — CID 10703786

IUPAC2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine
SMILESCc1nc(CCC(C)C)c(C)nc1Cl
InChIInChI=1S/C11H17ClN2/c1-7(2)5-6-10-8(3)14-11(12)9(4)13-10/h7H,5-6H2,1-4H3
InChIKeyUJILTZNEKBMTBG-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine

2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine (PubChem CID 10703786) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine
PubChem CID10703786
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine
SMILESCc1nc(CCC(C)C)c(C)nc1Cl
InChIInChI=1S/C11H17ClN2/c1-7(2)5-6-10-8(3)14-11(12)9(4)13-10/h7H,5-6H2,1-4H3
InChIKeyUJILTZNEKBMTBG-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine?
The IUPAC name of 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine (CID 10703786) is 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine.
What is the SMILES notation for 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine?
The canonical SMILES for 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine is Cc1nc(CCC(C)C)c(C)nc1Cl.
What is the InChIKey of 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine?
The InChIKey is UJILTZNEKBMTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-7(2)5-6-10-8(3)14-11(12)9(4)13-10/h7H,5-6H2,1-4H3.
What are the key properties of 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine?
2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine has a molecular weight of 212.72 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethyl-5-(3-methylbutyl)pyrazine is sourced from PubChem (CID 10703786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).