4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium

C24H14N4O2 — CID 593276

IUPAC4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium
SMILES[O-][n+]1onc2c(-c3cccc4ccccc34)nnc(-c3cccc4ccccc34)c21
InChIInChI=1S/C24H14N4O2/c29-28-24-22(20-14-6-10-16-8-2-4-12-18(16)20)26-25-21(23(24)27-30-28)19-13-5-9-15-7-1-3-11-17(15)19/h1-14H
InChIKeyOHRDEZMYADSSQN-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.89
Rot. Bonds2

About 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium

4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium (PubChem CID 593276) has the molecular formula C24H14N4O2 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium.

Molecular Properties

Compound Name4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium
PubChem CID593276
Molecular FormulaC24H14N4O2
Molecular Weight390.40 g/mol
Exact Mass390.11
IUPAC Name4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium
SMILES[O-][n+]1onc2c(-c3cccc4ccccc34)nnc(-c3cccc4ccccc34)c21
InChIInChI=1S/C24H14N4O2/c29-28-24-22(20-14-6-10-16-8-2-4-12-18(16)20)26-25-21(23(24)27-30-28)19-13-5-9-15-7-1-3-11-17(15)19/h1-14H
InChIKeyOHRDEZMYADSSQN-UHFFFAOYSA-N
XLogP4.89
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium?
The IUPAC name of 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium (CID 593276) is 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium.
What is the SMILES notation for 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium?
The canonical SMILES for 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium is [O-][n+]1onc2c(-c3cccc4ccccc34)nnc(-c3cccc4ccccc34)c21.
What is the InChIKey of 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium?
The InChIKey is OHRDEZMYADSSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O2/c29-28-24-22(20-14-6-10-16-8-2-4-12-18(16)20)26-25-21(23(24)27-30-28)19-13-5-9-15-7-1-3-11-17(15)19/h1-14H.
What are the key properties of 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium?
4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium has a molecular weight of 390.40 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dinaphthalen-1-yl-3-oxido-[1,2,5]oxadiazolo[3,4-d]pyridazin-3-ium is sourced from PubChem (CID 593276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).