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

C12H20N2 — CID 528105

IUPAC2,3,5-trimethyl-6-(2-methylbutyl)pyrazine
SMILESCCC(C)Cc1nc(C)c(C)nc1C
InChIInChI=1S/C12H20N2/c1-6-8(2)7-12-11(5)13-9(3)10(4)14-12/h8H,6-7H2,1-5H3
InChIKeyHBNTYRSZFUEIEX-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.99
Rot. Bonds3

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

2,3,5-trimethyl-6-(2-methylbutyl)pyrazine (PubChem CID 528105) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-(2-methylbutyl)pyrazine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-(2-methylbutyl)pyrazine
PubChem CID528105
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,3,5-trimethyl-6-(2-methylbutyl)pyrazine
SMILESCCC(C)Cc1nc(C)c(C)nc1C
InChIInChI=1S/C12H20N2/c1-6-8(2)7-12-11(5)13-9(3)10(4)14-12/h8H,6-7H2,1-5H3
InChIKeyHBNTYRSZFUEIEX-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.99
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-methylbutyl)pyrazine?
The IUPAC name of 2,3,5-trimethyl-6-(2-methylbutyl)pyrazine (CID 528105) is 2,3,5-trimethyl-6-(2-methylbutyl)pyrazine.
What is the SMILES notation for 2,3,5-trimethyl-6-(2-methylbutyl)pyrazine?
The canonical SMILES for 2,3,5-trimethyl-6-(2-methylbutyl)pyrazine is CCC(C)Cc1nc(C)c(C)nc1C.
What is the InChIKey of 2,3,5-trimethyl-6-(2-methylbutyl)pyrazine?
The InChIKey is HBNTYRSZFUEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-8(2)7-12-11(5)13-9(3)10(4)14-12/h8H,6-7H2,1-5H3.
What are the key properties of 2,3,5-trimethyl-6-(2-methylbutyl)pyrazine?
2,3,5-trimethyl-6-(2-methylbutyl)pyrazine has a molecular weight of 192.31 g/mol, XLogP of 2.99, 3 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-methylbutyl)pyrazine is sourced from PubChem (CID 528105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).