4-methyl-1-oxido-6-phenylpyridazin-1-ium

C11H10N2O — CID 67537960

IUPAC4-methyl-1-oxido-6-phenylpyridazin-1-ium
SMILESCc1cn[n+]([O-])c(-c2ccccc2)c1
InChIInChI=1S/C11H10N2O/c1-9-7-11(13(14)12-8-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyUNSSQQMGNGTNLX-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.69
Rot. Bonds1

About 4-methyl-1-oxido-6-phenylpyridazin-1-ium

4-methyl-1-oxido-6-phenylpyridazin-1-ium (PubChem CID 67537960) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-1-oxido-6-phenylpyridazin-1-ium.

Molecular Properties

Compound Name4-methyl-1-oxido-6-phenylpyridazin-1-ium
PubChem CID67537960
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-methyl-1-oxido-6-phenylpyridazin-1-ium
SMILESCc1cn[n+]([O-])c(-c2ccccc2)c1
InChIInChI=1S/C11H10N2O/c1-9-7-11(13(14)12-8-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyUNSSQQMGNGTNLX-UHFFFAOYSA-N
XLogP1.69
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxido-6-phenylpyridazin-1-ium?
The IUPAC name of 4-methyl-1-oxido-6-phenylpyridazin-1-ium (CID 67537960) is 4-methyl-1-oxido-6-phenylpyridazin-1-ium.
What is the SMILES notation for 4-methyl-1-oxido-6-phenylpyridazin-1-ium?
The canonical SMILES for 4-methyl-1-oxido-6-phenylpyridazin-1-ium is Cc1cn[n+]([O-])c(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-1-oxido-6-phenylpyridazin-1-ium?
The InChIKey is UNSSQQMGNGTNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-7-11(13(14)12-8-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-methyl-1-oxido-6-phenylpyridazin-1-ium?
4-methyl-1-oxido-6-phenylpyridazin-1-ium has a molecular weight of 186.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxido-6-phenylpyridazin-1-ium is sourced from PubChem (CID 67537960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).