4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide

C11H11N2O+ — CID 59446273

IUPAC4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide
SMILESCc1cc(-c2ccccc2)[nH][n+](=O)c1
InChIInChI=1S/C11H11N2O/c1-9-7-11(12-13(14)8-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,12,14)/q+1
InChIKeyCAZXSWWCJMTCNC-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.90
Rot. Bonds1

About 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide

4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide (PubChem CID 59446273) has the molecular formula C11H11N2O+ and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide.

Molecular Properties

Compound Name4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide
PubChem CID59446273
Molecular FormulaC11H11N2O+
Molecular Weight187.22 g/mol
Exact Mass187.09
IUPAC Name4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide
SMILESCc1cc(-c2ccccc2)[nH][n+](=O)c1
InChIInChI=1S/C11H11N2O/c1-9-7-11(12-13(14)8-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,12,14)/q+1
InChIKeyCAZXSWWCJMTCNC-UHFFFAOYSA-N
XLogP1.90
TPSA38.76 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide?
The IUPAC name of 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide (CID 59446273) is 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide.
What is the SMILES notation for 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide?
The canonical SMILES for 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide is Cc1cc(-c2ccccc2)[nH][n+](=O)c1.
What is the InChIKey of 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide?
The InChIKey is CAZXSWWCJMTCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O/c1-9-7-11(12-13(14)8-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,12,14)/q+1.
What are the key properties of 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide?
4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide has a molecular weight of 187.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-1H-pyridazin-2-ium 2-oxide is sourced from PubChem (CID 59446273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).