1-benzyl-2-ethylpyrazin-1-ium

C13H15N2+ — CID 139738424

IUPAC1-benzyl-2-ethylpyrazin-1-ium
SMILESCCc1cncc[n+]1Cc1ccccc1
InChIInChI=1S/C13H15N2/c1-2-13-10-14-8-9-15(13)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3/q+1
InChIKeyWQDHIFVWDNCTHD-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.98
Rot. Bonds3

About 1-benzyl-2-ethylpyrazin-1-ium

1-benzyl-2-ethylpyrazin-1-ium (PubChem CID 139738424) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-benzyl-2-ethylpyrazin-1-ium.

Molecular Properties

Compound Name1-benzyl-2-ethylpyrazin-1-ium
PubChem CID139738424
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC Name1-benzyl-2-ethylpyrazin-1-ium
SMILESCCc1cncc[n+]1Cc1ccccc1
InChIInChI=1S/C13H15N2/c1-2-13-10-14-8-9-15(13)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3/q+1
InChIKeyWQDHIFVWDNCTHD-UHFFFAOYSA-N
XLogP1.98
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.98
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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Related Compounds

1-benzyl-2-fluoropyrazin-1-ium
CID 139735554
1-benzyl-2-[(4-methylphenyl)methyl]pyrazin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139738536
1-benzyl-2-(tribromomethyl)pyrazin-1-ium
CID 139735523
1-benzyl-2-(chloromethoxy)pyrazin-1-ium
CID 139737203
2-(4-azidobut-2-enyl)-1-benzylpyrazin-1-ium
CID 139736396
1-benzyl-2-(2-methylpropyl)pyrazin-1-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139736228
2-(1-benzylpyrazin-1-ium-2-yl)prop-2-enoic acid
CID 139735452
3-[(1-benzylpyrazin-1-ium-2-yl)methyl]benzoic acid;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139736732
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
1-benzyl-2-prop-1-en-2-ylpyrazin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139735933
1-benzyl-2-(tribromomethyl)pyrazin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139735522
1-benzyl-2-(3-methylphenyl)pyrazin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139737486

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethylpyrazin-1-ium?
The IUPAC name of 1-benzyl-2-ethylpyrazin-1-ium (CID 139738424) is 1-benzyl-2-ethylpyrazin-1-ium.
What is the SMILES notation for 1-benzyl-2-ethylpyrazin-1-ium?
The canonical SMILES for 1-benzyl-2-ethylpyrazin-1-ium is CCc1cncc[n+]1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethylpyrazin-1-ium?
The InChIKey is WQDHIFVWDNCTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2/c1-2-13-10-14-8-9-15(13)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3/q+1.
What are the key properties of 1-benzyl-2-ethylpyrazin-1-ium?
1-benzyl-2-ethylpyrazin-1-ium has a molecular weight of 199.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethylpyrazin-1-ium is sourced from PubChem (CID 139738424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).