azane;tris(ruthenium(2+));hexachloride;dihydrate

H46Cl6N14O2Ru3 — CID 53356667

IUPACazane;tris(ruthenium(2+));hexachloride;dihydrate
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/6ClH.14H3N.2H2O.3Ru/h6*1H;14*1H3;2*1H2;;;/q;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6
InChIKeyJQJSTVUROJELSR-UHFFFAOYSA-H
MW790.39 g/mol
LogP-17.36
Rot. Bonds

About azane;tris(ruthenium(2+));hexachloride;dihydrate

azane;tris(ruthenium(2+));hexachloride;dihydrate (PubChem CID 53356667) has the molecular formula H46Cl6N14O2Ru3 and a molecular weight of 790.39 g/mol. Its IUPAC name is azane;tris(ruthenium(2+));hexachloride;dihydrate.

Molecular Properties

Compound Nameazane;tris(ruthenium(2+));hexachloride;dihydrate
PubChem CID53356667
Molecular FormulaH46Cl6N14O2Ru3
Molecular Weight790.39 g/mol
Exact Mass789.92
IUPAC Nameazane;tris(ruthenium(2+));hexachloride;dihydrate
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/6ClH.14H3N.2H2O.3Ru/h6*1H;14*1H3;2*1H2;;;/q;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6
InChIKeyJQJSTVUROJELSR-UHFFFAOYSA-H
XLogP-17.36
TPSA553.00 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.39
LogP ≤ 5-17.36
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Analyze azane;tris(ruthenium(2+));hexachloride;dihydrate 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

copper;azane;dichloride;dihydrate
CID 172840611
ruthenium(2+);chloride;dihydrate
CID 19857646
ruthenium(2+);dichloride;hexahydrate
CID 23431992
copper;azane;dichloride
CID 19799973
copper;chloride;tetrahydrate
CID 21217264
copper;azane;dichloride;dihydrochloride
CID 170839647
azane;tetrahydrate
CID 172794729
ruthenium(2+);hexahydrate
CID 5260027
azane;hydrate
CID 71309179
azane;octadecahydrate
CID 174841699
azane;pentahydrate
CID 173288415
azanium;azane;copper;chloride;hydrate
CID 172781259

Frequently Asked Questions

What is the IUPAC name of azane;tris(ruthenium(2+));hexachloride;dihydrate?
The IUPAC name of azane;tris(ruthenium(2+));hexachloride;dihydrate (CID 53356667) is azane;tris(ruthenium(2+));hexachloride;dihydrate.
What is the SMILES notation for azane;tris(ruthenium(2+));hexachloride;dihydrate?
The canonical SMILES for azane;tris(ruthenium(2+));hexachloride;dihydrate is N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of azane;tris(ruthenium(2+));hexachloride;dihydrate?
The InChIKey is JQJSTVUROJELSR-UHFFFAOYSA-H. The full InChI is InChI=1S/6ClH.14H3N.2H2O.3Ru/h6*1H;14*1H3;2*1H2;;;/q;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6.
What are the key properties of azane;tris(ruthenium(2+));hexachloride;dihydrate?
azane;tris(ruthenium(2+));hexachloride;dihydrate has a molecular weight of 790.39 g/mol, XLogP of -17.36, 0 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tris(ruthenium(2+));hexachloride;dihydrate is sourced from PubChem (CID 53356667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).