2-butyl-3,5,6-trimethylpyrazine

C11H18N2 — CID 585784

IUPAC2-butyl-3,5,6-trimethylpyrazine
SMILESCCCCc1nc(C)c(C)nc1C
InChIInChI=1S/C11H18N2/c1-5-6-7-11-10(4)12-8(2)9(3)13-11/h5-7H2,1-4H3
InChIKeyLHDGCKPZCAXIBB-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.74
Rot. Bonds3

About 2-butyl-3,5,6-trimethylpyrazine

2-butyl-3,5,6-trimethylpyrazine (PubChem CID 585784) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-butyl-3,5,6-trimethylpyrazine.

Molecular Properties

Compound Name2-butyl-3,5,6-trimethylpyrazine
PubChem CID585784
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-butyl-3,5,6-trimethylpyrazine
SMILESCCCCc1nc(C)c(C)nc1C
InChIInChI=1S/C11H18N2/c1-5-6-7-11-10(4)12-8(2)9(3)13-11/h5-7H2,1-4H3
InChIKeyLHDGCKPZCAXIBB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,5,6-trimethylpyrazine?
The IUPAC name of 2-butyl-3,5,6-trimethylpyrazine (CID 585784) is 2-butyl-3,5,6-trimethylpyrazine.
What is the SMILES notation for 2-butyl-3,5,6-trimethylpyrazine?
The canonical SMILES for 2-butyl-3,5,6-trimethylpyrazine is CCCCc1nc(C)c(C)nc1C.
What is the InChIKey of 2-butyl-3,5,6-trimethylpyrazine?
The InChIKey is LHDGCKPZCAXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-6-7-11-10(4)12-8(2)9(3)13-11/h5-7H2,1-4H3.
What are the key properties of 2-butyl-3,5,6-trimethylpyrazine?
2-butyl-3,5,6-trimethylpyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,5,6-trimethylpyrazine is sourced from PubChem (CID 585784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).