6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium

C11H10N2O2 — CID 59738605

IUPAC6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium
SMILESCOc1ccc(-c2cccn[n+]2[O-])cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-6-4-9(5-7-10)11-3-2-8-12-13(11)14/h2-8H,1H3
InChIKeyCKNZREGWMRFFDF-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.39
Rot. Bonds2

About 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium

6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium (PubChem CID 59738605) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium
PubChem CID59738605
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium
SMILESCOc1ccc(-c2cccn[n+]2[O-])cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-6-4-9(5-7-10)11-3-2-8-12-13(11)14/h2-8H,1H3
InChIKeyCKNZREGWMRFFDF-UHFFFAOYSA-N
XLogP1.39
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
5-(3-Isopropoxy-phenyl)-3-phenyl-pyridazine
CID 10401969
3-Chloro-6-(4-methoxyphenyl)pyridazine
CID 12257501
3,4-Bis(4-methoxyphenyl)-6-phenylpyridazine
CID 12113842
5-(4-Methoxyphenyl)-1H-1,2,3-triazole
CID 600260
3-(4-Methoxyphenyl)-6-phenoxypyridazine
CID 141046208
1-(4-Methoxyphenyl)-2-(4-pyridazynyl)ethylene
CID 5376016
5-Bromo-3-(2-methoxyphenyl)pyridazine
CID 117107079
3-Methoxy-6-phenylpyridazine
CID 11084567
N-(4-methoxyphenyl)-1-pyridazin-4-ylmethanimine
CID 11127609
3-Chloro-5-(4-methoxyphenyl)pyridazine
CID 13558917
3-Methoxy-6-(4-methoxyphenyl)pyridazine
CID 15445189

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium?
The IUPAC name of 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium (CID 59738605) is 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium?
The canonical SMILES for 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium is COc1ccc(-c2cccn[n+]2[O-])cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium?
The InChIKey is CKNZREGWMRFFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-6-4-9(5-7-10)11-3-2-8-12-13(11)14/h2-8H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium?
6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium has a molecular weight of 202.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-oxidopyridazin-1-ium is sourced from PubChem (CID 59738605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).