2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine

C16H15N4+ — CID 58421094

IUPAC2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine
SMILESCc1ccccc1-c1ccc(-c2ncncn2)c[n+]1C
InChIInChI=1S/C16H15N4/c1-12-5-3-4-6-14(12)15-8-7-13(9-20(15)2)16-18-10-17-11-19-16/h3-11H,1-2H3/q+1
InChIKeyKFOLEYWWZLFJSV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.34
Rot. Bonds2

About 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine

2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine (PubChem CID 58421094) has the molecular formula C16H15N4+ and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine
PubChem CID58421094
Molecular FormulaC16H15N4+
Molecular Weight263.32 g/mol
Exact Mass263.13
IUPAC Name2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine
SMILESCc1ccccc1-c1ccc(-c2ncncn2)c[n+]1C
InChIInChI=1S/C16H15N4/c1-12-5-3-4-6-14(12)15-8-7-13(9-20(15)2)16-18-10-17-11-19-16/h3-11H,1-2H3/q+1
InChIKeyKFOLEYWWZLFJSV-UHFFFAOYSA-N
XLogP2.34
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2(36),3,5,7,9,11(35),12,14,16(34),17,19,21(33),22(32),23,25,27(31),28-octadecaenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 171043690
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284
5-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777883
5-[4-(4-cyclopentylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777927
4-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-2-(2,3,3,3-tetradeuterio-2-methylpropyl)pyrimidine
CID 158344622
5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium
CID 157439075
1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 153461108
1-methyl-6-(2-methylphenyl)-4-(4-methylphenyl)pyrimidin-1-ium
CID 159395086
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
CID 140920519
1-methyl-2-(2-methylphenyl)-5-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium
CID 153452442
5-[4-(3-cyclopentylcyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777940
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine?
The IUPAC name of 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine (CID 58421094) is 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine is Cc1ccccc1-c1ccc(-c2ncncn2)c[n+]1C.
What is the InChIKey of 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine?
The InChIKey is KFOLEYWWZLFJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N4/c1-12-5-3-4-6-14(12)15-8-7-13(9-20(15)2)16-18-10-17-11-19-16/h3-11H,1-2H3/q+1.
What are the key properties of 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine?
2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine has a molecular weight of 263.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine is sourced from PubChem (CID 58421094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).