2,3,5-triethyl-6-methylpyrazine

C11H18N2 — CID 53428898

IUPAC2,3,5-triethyl-6-methylpyrazine
SMILESCCc1nc(CC)c(CC)nc1C
InChIInChI=1S/C11H18N2/c1-5-9-8(4)12-10(6-2)11(7-3)13-9/h5-7H2,1-4H3
InChIKeyICSINJKWHMSKAK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.47
Rot. Bonds3

About 2,3,5-triethyl-6-methylpyrazine

2,3,5-triethyl-6-methylpyrazine (PubChem CID 53428898) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3,5-triethyl-6-methylpyrazine.

Molecular Properties

Compound Name2,3,5-triethyl-6-methylpyrazine
PubChem CID53428898
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3,5-triethyl-6-methylpyrazine
SMILESCCc1nc(CC)c(CC)nc1C
InChIInChI=1S/C11H18N2/c1-5-9-8(4)12-10(6-2)11(7-3)13-9/h5-7H2,1-4H3
InChIKeyICSINJKWHMSKAK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triethyl-6-methylpyrazine?
The IUPAC name of 2,3,5-triethyl-6-methylpyrazine (CID 53428898) is 2,3,5-triethyl-6-methylpyrazine.
What is the SMILES notation for 2,3,5-triethyl-6-methylpyrazine?
The canonical SMILES for 2,3,5-triethyl-6-methylpyrazine is CCc1nc(CC)c(CC)nc1C.
What is the InChIKey of 2,3,5-triethyl-6-methylpyrazine?
The InChIKey is ICSINJKWHMSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9-8(4)12-10(6-2)11(7-3)13-9/h5-7H2,1-4H3.
What are the key properties of 2,3,5-triethyl-6-methylpyrazine?
2,3,5-triethyl-6-methylpyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triethyl-6-methylpyrazine is sourced from PubChem (CID 53428898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).