2-butyl-3,5-dimethylpyrazine

C10H16N2 — CID 528127

IUPAC2-butyl-3,5-dimethylpyrazine
SMILESCCCCc1ncc(C)nc1C
InChIInChI=1S/C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10/h7H,4-6H2,1-3H3
InChIKeyCSGGOEBNSRAFPU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.44
Rot. Bonds3

About 2-butyl-3,5-dimethylpyrazine

2-butyl-3,5-dimethylpyrazine (PubChem CID 528127) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-butyl-3,5-dimethylpyrazine.

Molecular Properties

Compound Name2-butyl-3,5-dimethylpyrazine
PubChem CID528127
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-butyl-3,5-dimethylpyrazine
SMILESCCCCc1ncc(C)nc1C
InChIInChI=1S/C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10/h7H,4-6H2,1-3H3
InChIKeyCSGGOEBNSRAFPU-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,5-dimethylpyrazine?
The IUPAC name of 2-butyl-3,5-dimethylpyrazine (CID 528127) is 2-butyl-3,5-dimethylpyrazine.
What is the SMILES notation for 2-butyl-3,5-dimethylpyrazine?
The canonical SMILES for 2-butyl-3,5-dimethylpyrazine is CCCCc1ncc(C)nc1C.
What is the InChIKey of 2-butyl-3,5-dimethylpyrazine?
The InChIKey is CSGGOEBNSRAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10/h7H,4-6H2,1-3H3.
What are the key properties of 2-butyl-3,5-dimethylpyrazine?
2-butyl-3,5-dimethylpyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,5-dimethylpyrazine is sourced from PubChem (CID 528127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).