1,4-diethyl-2H-pyrazin-4-ium

C8H15N2+ — CID 23148550

IUPAC1,4-diethyl-2H-pyrazin-4-ium
SMILESCCN1C=C[N+](CC)=CC1
InChIInChI=1S/C8H15N2/c1-3-9-5-7-10(4-2)8-6-9/h5-7H,3-4,8H2,1-2H3/q+1
InChIKeyOWDAETZUTVFVGQ-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.90
Rot. Bonds2

About 1,4-diethyl-2H-pyrazin-4-ium

1,4-diethyl-2H-pyrazin-4-ium (PubChem CID 23148550) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 1,4-diethyl-2H-pyrazin-4-ium.

Molecular Properties

Compound Name1,4-diethyl-2H-pyrazin-4-ium
PubChem CID23148550
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name1,4-diethyl-2H-pyrazin-4-ium
SMILESCCN1C=C[N+](CC)=CC1
InChIInChI=1S/C8H15N2/c1-3-9-5-7-10(4-2)8-6-9/h5-7H,3-4,8H2,1-2H3/q+1
InChIKeyOWDAETZUTVFVGQ-UHFFFAOYSA-N
XLogP0.90
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2H-pyrazin-4-ium?
The IUPAC name of 1,4-diethyl-2H-pyrazin-4-ium (CID 23148550) is 1,4-diethyl-2H-pyrazin-4-ium.
What is the SMILES notation for 1,4-diethyl-2H-pyrazin-4-ium?
The canonical SMILES for 1,4-diethyl-2H-pyrazin-4-ium is CCN1C=C[N+](CC)=CC1.
What is the InChIKey of 1,4-diethyl-2H-pyrazin-4-ium?
The InChIKey is OWDAETZUTVFVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-3-9-5-7-10(4-2)8-6-9/h5-7H,3-4,8H2,1-2H3/q+1.
What are the key properties of 1,4-diethyl-2H-pyrazin-4-ium?
1,4-diethyl-2H-pyrazin-4-ium has a molecular weight of 139.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2H-pyrazin-4-ium is sourced from PubChem (CID 23148550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).