2,3,5-triethyl-6-(oxolan-2-yl)pyrazine

C14H22N2O — CID 130458663

IUPAC2,3,5-triethyl-6-(oxolan-2-yl)pyrazine
SMILESCCc1nc(CC)c(C2CCCO2)nc1CC
InChIInChI=1S/C14H22N2O/c1-4-10-11(5-2)16-14(12(6-3)15-10)13-8-7-9-17-13/h13H,4-9H2,1-3H3
InChIKeyWTCTXMHFJUPVIC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds4

About 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine

2,3,5-triethyl-6-(oxolan-2-yl)pyrazine (PubChem CID 130458663) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine.

Molecular Properties

Compound Name2,3,5-triethyl-6-(oxolan-2-yl)pyrazine
PubChem CID130458663
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,3,5-triethyl-6-(oxolan-2-yl)pyrazine
SMILESCCc1nc(CC)c(C2CCCO2)nc1CC
InChIInChI=1S/C14H22N2O/c1-4-10-11(5-2)16-14(12(6-3)15-10)13-8-7-9-17-13/h13H,4-9H2,1-3H3
InChIKeyWTCTXMHFJUPVIC-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine?
The IUPAC name of 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine (CID 130458663) is 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine.
What is the SMILES notation for 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine?
The canonical SMILES for 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine is CCc1nc(CC)c(C2CCCO2)nc1CC.
What is the InChIKey of 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine?
The InChIKey is WTCTXMHFJUPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10-11(5-2)16-14(12(6-3)15-10)13-8-7-9-17-13/h13H,4-9H2,1-3H3.
What are the key properties of 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine?
2,3,5-triethyl-6-(oxolan-2-yl)pyrazine has a molecular weight of 234.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triethyl-6-(oxolan-2-yl)pyrazine is sourced from PubChem (CID 130458663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).