1-oxido-6-pyridin-2-ylpyridazin-1-ium

C9H7N3O — CID 122554504

IUPAC1-oxido-6-pyridin-2-ylpyridazin-1-ium
SMILES[O-][n+]1ncccc1-c1ccccn1
InChIInChI=1S/C9H7N3O/c13-12-9(5-3-7-11-12)8-4-1-2-6-10-8/h1-7H
InChIKeyYIILHPXXHNSRQN-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.78
Rot. Bonds1

About 1-oxido-6-pyridin-2-ylpyridazin-1-ium

1-oxido-6-pyridin-2-ylpyridazin-1-ium (PubChem CID 122554504) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-oxido-6-pyridin-2-ylpyridazin-1-ium.

Molecular Properties

Compound Name1-oxido-6-pyridin-2-ylpyridazin-1-ium
PubChem CID122554504
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name1-oxido-6-pyridin-2-ylpyridazin-1-ium
SMILES[O-][n+]1ncccc1-c1ccccn1
InChIInChI=1S/C9H7N3O/c13-12-9(5-3-7-11-12)8-4-1-2-6-10-8/h1-7H
InChIKeyYIILHPXXHNSRQN-UHFFFAOYSA-N
XLogP0.78
TPSA52.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.78
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

palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
CID 139154451
chloroform;1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium;2-pyridin-2-ylpyridine
CID 162039201
1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide
CID 11726206
1-octadecyl-2-pyridin-2-ylpyridin-1-ium bromide
CID 10254975

Frequently Asked Questions

What is the IUPAC name of 1-oxido-6-pyridin-2-ylpyridazin-1-ium?
The IUPAC name of 1-oxido-6-pyridin-2-ylpyridazin-1-ium (CID 122554504) is 1-oxido-6-pyridin-2-ylpyridazin-1-ium.
What is the SMILES notation for 1-oxido-6-pyridin-2-ylpyridazin-1-ium?
The canonical SMILES for 1-oxido-6-pyridin-2-ylpyridazin-1-ium is [O-][n+]1ncccc1-c1ccccn1.
What is the InChIKey of 1-oxido-6-pyridin-2-ylpyridazin-1-ium?
The InChIKey is YIILHPXXHNSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-12-9(5-3-7-11-12)8-4-1-2-6-10-8/h1-7H.
What are the key properties of 1-oxido-6-pyridin-2-ylpyridazin-1-ium?
1-oxido-6-pyridin-2-ylpyridazin-1-ium has a molecular weight of 173.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-6-pyridin-2-ylpyridazin-1-ium is sourced from PubChem (CID 122554504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).