1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium

C11H15N3+2 — CID 170150348

IUPAC1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
SMILESCc1cccc(-n2ccc[n+]2C)[n+]1C
InChIInChI=1S/C11H15N3/c1-10-6-4-7-11(13(10)3)14-9-5-8-12(14)2/h4-9H,1-3H3/q+2
InChIKeyATLFDDAISYFXKD-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.43
Rot. Bonds1

About 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium

1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium (PubChem CID 170150348) has the molecular formula C11H15N3+2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
PubChem CID170150348
Molecular FormulaC11H15N3+2
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
SMILESCc1cccc(-n2ccc[n+]2C)[n+]1C
InChIInChI=1S/C11H15N3/c1-10-6-4-7-11(13(10)3)14-9-5-8-12(14)2/h4-9H,1-3H3/q+2
InChIKeyATLFDDAISYFXKD-UHFFFAOYSA-N
XLogP0.43
TPSA12.69 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.43
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

1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 123422045
(2R)-1-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-2,3-dimethyl-2H-imidazole;(2R)-1,2-dimethyl-3-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-2H-imidazole;ethane
CID 158909155
2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 59016991
1-(3-tert-butyl-2-methylphenyl)-2-methylpyrazol-2-ium
CID 155769678
2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
CID 123148844
1-[5,10-bis(2,6-dimethylphenyl)-1-methylboranthren-2-yl]-2-methylpyrazol-2-ium
CID 153276276
N,N,1,6-tetramethylpyridin-1-ium-2-amine
CID 23389059
1,3,6-trimethyl-4H-pyrido[2,1-c][1,2,4]triazin-5-ium iodide
CID 154879321
2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole
CID 140827949
1-[10-[2,6-bis(trideuteriomethyl)phenyl]-3-methyl-5-[2-methyl-6-(trideuteriomethyl)phenyl]boranthren-2-yl]-2-methylpyrazol-2-ium
CID 159556617
bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium
CID 162169216
1,4-dimethyl-2-(6-methyl-3-propylcyclohepta-1,4,6-trien-1-yl)-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 123524317

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
The IUPAC name of 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium (CID 170150348) is 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium.
What is the SMILES notation for 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
The canonical SMILES for 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium is Cc1cccc(-n2ccc[n+]2C)[n+]1C.
What is the InChIKey of 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
The InChIKey is ATLFDDAISYFXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-10-6-4-7-11(13(10)3)14-9-5-8-12(14)2/h4-9H,1-3H3/q+2.
What are the key properties of 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium?
1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium has a molecular weight of 189.26 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium is sourced from PubChem (CID 170150348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).