2,3,5,6-tetrapropylpyrazine

C16H28N2 — CID 14712399

IUPAC2,3,5,6-tetrapropylpyrazine
SMILESCCCc1nc(CCC)c(CCC)nc1CCC
InChIInChI=1S/C16H28N2/c1-5-9-13-14(10-6-2)18-16(12-8-4)15(17-13)11-7-3/h5-12H2,1-4H3
InChIKeyBTWSLAUIOSYPFR-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.29
Rot. Bonds8

About 2,3,5,6-tetrapropylpyrazine

2,3,5,6-tetrapropylpyrazine (PubChem CID 14712399) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2,3,5,6-tetrapropylpyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrapropylpyrazine
PubChem CID14712399
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2,3,5,6-tetrapropylpyrazine
SMILESCCCc1nc(CCC)c(CCC)nc1CCC
InChIInChI=1S/C16H28N2/c1-5-9-13-14(10-6-2)18-16(12-8-4)15(17-13)11-7-3/h5-12H2,1-4H3
InChIKeyBTWSLAUIOSYPFR-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrapropylpyrazine?
The IUPAC name of 2,3,5,6-tetrapropylpyrazine (CID 14712399) is 2,3,5,6-tetrapropylpyrazine.
What is the SMILES notation for 2,3,5,6-tetrapropylpyrazine?
The canonical SMILES for 2,3,5,6-tetrapropylpyrazine is CCCc1nc(CCC)c(CCC)nc1CCC.
What is the InChIKey of 2,3,5,6-tetrapropylpyrazine?
The InChIKey is BTWSLAUIOSYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-9-13-14(10-6-2)18-16(12-8-4)15(17-13)11-7-3/h5-12H2,1-4H3.
What are the key properties of 2,3,5,6-tetrapropylpyrazine?
2,3,5,6-tetrapropylpyrazine has a molecular weight of 248.41 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrapropylpyrazine is sourced from PubChem (CID 14712399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).