2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium

C13H15N2+ — CID 171746802

IUPAC2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
SMILESCc1ccc(-c2cncc[n+]2C)c(C)c1
InChIInChI=1S/C13H15N2/c1-10-4-5-12(11(2)8-10)13-9-14-6-7-15(13)3/h4-9H,1-3H3/q+1
InChIKeyHTKAHXIZXLCADC-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.19
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium

2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium (PubChem CID 171746802) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
PubChem CID171746802
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC Name2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium
SMILESCc1ccc(-c2cncc[n+]2C)c(C)c1
InChIInChI=1S/C13H15N2/c1-10-4-5-12(11(2)8-10)13-9-14-6-7-15(13)3/h4-9H,1-3H3/q+1
InChIKeyHTKAHXIZXLCADC-UHFFFAOYSA-N
XLogP2.19
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.19
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-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
CID 123891405
1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
CID 140839431
2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
CID 140839543
trimethyl-[1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-4-yl]germane
CID 166010836
4-(2,4-dimethylphenyl)pyridin-3-amine
CID 80503034
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
4-tert-butyl-2-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium;chloromethane;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157248189
2-(2,4-dimethylphenyl)-1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944473
2-(2,4-dimethylphenyl)-4-fluoropyridine
CID 102824457
2-(2,4-dimethylphenyl)-1,3,5-trimethylpyridin-1-ium
CID 18737956
1,2-dimethyl-6-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium
CID 159222776

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium (CID 171746802) is 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium is Cc1ccc(-c2cncc[n+]2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium?
The InChIKey is HTKAHXIZXLCADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2/c1-10-4-5-12(11(2)8-10)13-9-14-6-7-15(13)3/h4-9H,1-3H3/q+1.
What are the key properties of 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium?
2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium has a molecular weight of 199.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-methylpyrazin-1-ium is sourced from PubChem (CID 171746802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).