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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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).