2,3,5,6-tetrabutylpyrazine

C20H36N2 — CID 14712400

IUPAC2,3,5,6-tetrabutylpyrazine
SMILESCCCCc1nc(CCCC)c(CCCC)nc1CCCC
InChIInChI=1S/C20H36N2/c1-5-9-13-17-18(14-10-6-2)22-20(16-12-8-4)19(21-17)15-11-7-3/h5-16H2,1-4H3
InChIKeyDWKJRIKJDAOXBV-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.85
Rot. Bonds12

About 2,3,5,6-tetrabutylpyrazine

2,3,5,6-tetrabutylpyrazine (PubChem CID 14712400) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 2,3,5,6-tetrabutylpyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrabutylpyrazine
PubChem CID14712400
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name2,3,5,6-tetrabutylpyrazine
SMILESCCCCc1nc(CCCC)c(CCCC)nc1CCCC
InChIInChI=1S/C20H36N2/c1-5-9-13-17-18(14-10-6-2)22-20(16-12-8-4)19(21-17)15-11-7-3/h5-16H2,1-4H3
InChIKeyDWKJRIKJDAOXBV-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine
CID 6428802
2,3,5-Trimethyl-6-propylpyrazine
CID 586005
2,5-Diethyl-3,6-dimethylpyrazine
CID 12669071
2,6-Diethyl-3,5-dimethylpyrazine
CID 22152543
2,3-Diethyl-5,6-dimethylpyrazine
CID 182198
2-Ethyl-3,5,6-trimethylpyrazine
CID 28518
2-Isobutyl-3,5,6-trimethylpyrazine
CID 521191
2-Butyl-3,5,6-trimethylpyrazine
CID 585784
Tetraethylpyrazine
CID 193761
2,3,5-Trimethyl-6-isopentylpyrazine
CID 517762
3,6-Dibutyl-2,5-dimethylpyrazine
CID 601225
2,3,5-Trimethyl-6-(2-methylbutyl)pyrazine
CID 528105

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrabutylpyrazine?
The IUPAC name of 2,3,5,6-tetrabutylpyrazine (CID 14712400) is 2,3,5,6-tetrabutylpyrazine.
What is the SMILES notation for 2,3,5,6-tetrabutylpyrazine?
The canonical SMILES for 2,3,5,6-tetrabutylpyrazine is CCCCc1nc(CCCC)c(CCCC)nc1CCCC.
What is the InChIKey of 2,3,5,6-tetrabutylpyrazine?
The InChIKey is DWKJRIKJDAOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-5-9-13-17-18(14-10-6-2)22-20(16-12-8-4)19(21-17)15-11-7-3/h5-16H2,1-4H3.
What are the key properties of 2,3,5,6-tetrabutylpyrazine?
2,3,5,6-tetrabutylpyrazine has a molecular weight of 304.52 g/mol, XLogP of 5.85, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrabutylpyrazine is sourced from PubChem (CID 14712400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).