5-butan-2-yl-2,3-dimethylpyrazine

C10H16N2 — CID 520567

IUPAC5-butan-2-yl-2,3-dimethylpyrazine
SMILESCCC(C)c1cnc(C)c(C)n1
InChIInChI=1S/C10H16N2/c1-5-7(2)10-6-11-8(3)9(4)12-10/h6-7H,5H2,1-4H3
InChIKeyZTPIKPFNCVSISS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.61
Rot. Bonds2

About 5-butan-2-yl-2,3-dimethylpyrazine

5-butan-2-yl-2,3-dimethylpyrazine (PubChem CID 520567) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-butan-2-yl-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-butan-2-yl-2,3-dimethylpyrazine
PubChem CID520567
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-butan-2-yl-2,3-dimethylpyrazine
SMILESCCC(C)c1cnc(C)c(C)n1
InChIInChI=1S/C10H16N2/c1-5-7(2)10-6-11-8(3)9(4)12-10/h6-7H,5H2,1-4H3
InChIKeyZTPIKPFNCVSISS-UHFFFAOYSA-N
XLogP2.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3-dimethylpyrazine?
The IUPAC name of 5-butan-2-yl-2,3-dimethylpyrazine (CID 520567) is 5-butan-2-yl-2,3-dimethylpyrazine.
What is the SMILES notation for 5-butan-2-yl-2,3-dimethylpyrazine?
The canonical SMILES for 5-butan-2-yl-2,3-dimethylpyrazine is CCC(C)c1cnc(C)c(C)n1.
What is the InChIKey of 5-butan-2-yl-2,3-dimethylpyrazine?
The InChIKey is ZTPIKPFNCVSISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7(2)10-6-11-8(3)9(4)12-10/h6-7H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,3-dimethylpyrazine?
5-butan-2-yl-2,3-dimethylpyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,3-dimethylpyrazine is sourced from PubChem (CID 520567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).