2,2-dimethyl-1H-pyridazin-2-ium

C6H11N2+ — CID 68959761

IUPAC2,2-dimethyl-1H-pyridazin-2-ium
SMILESC[N+]1(C)C=CC=CN1
InChIInChI=1S/C6H11N2/c1-8(2)6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyFOSCCNCIFKRTEV-UHFFFAOYSA-N
MW111.17 g/mol
LogP0.61
Rot. Bonds

About 2,2-dimethyl-1H-pyridazin-2-ium

2,2-dimethyl-1H-pyridazin-2-ium (PubChem CID 68959761) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 2,2-dimethyl-1H-pyridazin-2-ium.

Molecular Properties

Compound Name2,2-dimethyl-1H-pyridazin-2-ium
PubChem CID68959761
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name2,2-dimethyl-1H-pyridazin-2-ium
SMILESC[N+]1(C)C=CC=CN1
InChIInChI=1S/C6H11N2/c1-8(2)6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyFOSCCNCIFKRTEV-UHFFFAOYSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1H-pyridazin-2-ium?
The IUPAC name of 2,2-dimethyl-1H-pyridazin-2-ium (CID 68959761) is 2,2-dimethyl-1H-pyridazin-2-ium.
What is the SMILES notation for 2,2-dimethyl-1H-pyridazin-2-ium?
The canonical SMILES for 2,2-dimethyl-1H-pyridazin-2-ium is C[N+]1(C)C=CC=CN1.
What is the InChIKey of 2,2-dimethyl-1H-pyridazin-2-ium?
The InChIKey is FOSCCNCIFKRTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2/c1-8(2)6-4-3-5-7-8/h3-7H,1-2H3/q+1.
What are the key properties of 2,2-dimethyl-1H-pyridazin-2-ium?
2,2-dimethyl-1H-pyridazin-2-ium has a molecular weight of 111.17 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1H-pyridazin-2-ium is sourced from PubChem (CID 68959761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).