2,5-dibutylpyrazine

C12H20N2 — CID 20684313

IUPAC2,5-dibutylpyrazine
SMILESCCCCc1cnc(CCCC)cn1
InChIInChI=1S/C12H20N2/c1-3-5-7-11-9-14-12(10-13-11)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyQVBUXCPUCYVFLN-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.16
Rot. Bonds6

About 2,5-dibutylpyrazine

2,5-dibutylpyrazine (PubChem CID 20684313) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,5-dibutylpyrazine.

Molecular Properties

Compound Name2,5-dibutylpyrazine
PubChem CID20684313
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,5-dibutylpyrazine
SMILESCCCCc1cnc(CCCC)cn1
InChIInChI=1S/C12H20N2/c1-3-5-7-11-9-14-12(10-13-11)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyQVBUXCPUCYVFLN-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibutylpyrazine?
The IUPAC name of 2,5-dibutylpyrazine (CID 20684313) is 2,5-dibutylpyrazine.
What is the SMILES notation for 2,5-dibutylpyrazine?
The canonical SMILES for 2,5-dibutylpyrazine is CCCCc1cnc(CCCC)cn1.
What is the InChIKey of 2,5-dibutylpyrazine?
The InChIKey is QVBUXCPUCYVFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-5-7-11-9-14-12(10-13-11)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,5-dibutylpyrazine?
2,5-dibutylpyrazine has a molecular weight of 192.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutylpyrazine is sourced from PubChem (CID 20684313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).