azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite

C12H9N5O6Ru-2 — CID 50911284

IUPACazanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite
SMILESN#[O+].O=N[O-].O=N[O-].[OH-].[Ru].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2HNO2.NO.H2O.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1-3;1-2;;/h1-8H;2*(H,2,3);;1H2;/q;;;+1;;/p-3
InChIKeyHMVRAJSUKZCRCW-UHFFFAOYSA-K
MW420.30 g/mol
LogP3.00
Rot. Bonds

About azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite

azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite (PubChem CID 50911284) has the molecular formula C12H9N5O6Ru-2 and a molecular weight of 420.30 g/mol. Its IUPAC name is azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite.

Molecular Properties

Compound Nameazanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite
PubChem CID50911284
Molecular FormulaC12H9N5O6Ru-2
Molecular Weight420.30 g/mol
Exact Mass420.96
IUPAC Nameazanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite
SMILESN#[O+].O=N[O-].O=N[O-].[OH-].[Ru].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2HNO2.NO.H2O.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1-3;1-2;;/h1-8H;2*(H,2,3);;1H2;/q;;;+1;;/p-3
InChIKeyHMVRAJSUKZCRCW-UHFFFAOYSA-K
XLogP3.00
TPSA204.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite with MolForge

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

Launch Full Analysis

Related Compounds

bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
carbanide;1,10-phenanthroline;bis(trioxorhenium)
CID 59270684
oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate
CID 11595345
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309

Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite?
The IUPAC name of azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite (CID 50911284) is azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite.
What is the SMILES notation for azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite?
The canonical SMILES for azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite is N#[O+].O=N[O-].O=N[O-].[OH-].[Ru].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite?
The InChIKey is HMVRAJSUKZCRCW-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H8N2.2HNO2.NO.H2O.Ru/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1-3;1-2;;/h1-8H;2*(H,2,3);;1H2;/q;;;+1;;/p-3.
What are the key properties of azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite?
azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite has a molecular weight of 420.30 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium;1,10-phenanthroline;ruthenium;hydroxide;dinitrite is sourced from PubChem (CID 50911284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).