2,5-dibutyl-3,6-dichloropyrazine

C12H18Cl2N2 — CID 13143722

IUPAC2,5-dibutyl-3,6-dichloropyrazine
SMILESCCCCc1nc(Cl)c(CCCC)nc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-3-5-7-9-11(13)16-10(8-6-4-2)12(14)15-9/h3-8H2,1-2H3
InChIKeySXCQJJMBCPTSMU-UHFFFAOYSA-N
MW261.20 g/mol
LogP4.47
Rot. Bonds6

About 2,5-dibutyl-3,6-dichloropyrazine

2,5-dibutyl-3,6-dichloropyrazine (PubChem CID 13143722) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2,5-dibutyl-3,6-dichloropyrazine.

Molecular Properties

Compound Name2,5-dibutyl-3,6-dichloropyrazine
PubChem CID13143722
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name2,5-dibutyl-3,6-dichloropyrazine
SMILESCCCCc1nc(Cl)c(CCCC)nc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-3-5-7-9-11(13)16-10(8-6-4-2)12(14)15-9/h3-8H2,1-2H3
InChIKeySXCQJJMBCPTSMU-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-3,6-dichloropyrazine?
The IUPAC name of 2,5-dibutyl-3,6-dichloropyrazine (CID 13143722) is 2,5-dibutyl-3,6-dichloropyrazine.
What is the SMILES notation for 2,5-dibutyl-3,6-dichloropyrazine?
The canonical SMILES for 2,5-dibutyl-3,6-dichloropyrazine is CCCCc1nc(Cl)c(CCCC)nc1Cl.
What is the InChIKey of 2,5-dibutyl-3,6-dichloropyrazine?
The InChIKey is SXCQJJMBCPTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-3-5-7-9-11(13)16-10(8-6-4-2)12(14)15-9/h3-8H2,1-2H3.
What are the key properties of 2,5-dibutyl-3,6-dichloropyrazine?
2,5-dibutyl-3,6-dichloropyrazine has a molecular weight of 261.20 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3,6-dichloropyrazine is sourced from PubChem (CID 13143722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).