bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide

C12H28N5O5Pt2+3 — CID 6333896

IUPACbis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
SMILESO=[N+](O)O.[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[OH-].[OH-].[Pt+4].[Pt+4]
InChIInChI=1S/2C6H12N2.H2NO3.2H2O.2Pt/c2*7-5-3-1-2-4-6(5)8;2-1(3)4;;;;/h2*5-8H,1-4H2;(H2,2,3,4);2*1H2;;/q2*-2;+1;;;2*+4/p-2
InChIKeySDGODMUQITUKTO-UHFFFAOYSA-L
MW712.54 g/mol
LogP3.99
Rot. Bonds

About bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide

bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide (PubChem CID 6333896) has the molecular formula C12H28N5O5Pt2+3 and a molecular weight of 712.54 g/mol. Its IUPAC name is bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide.

Molecular Properties

Compound Namebis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
PubChem CID6333896
Molecular FormulaC12H28N5O5Pt2+3
Molecular Weight712.54 g/mol
Exact Mass712.14
IUPAC Namebis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
SMILESO=[N+](O)O.[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[OH-].[OH-].[Pt+4].[Pt+4]
InChIInChI=1S/2C6H12N2.H2NO3.2H2O.2Pt/c2*7-5-3-1-2-4-6(5)8;2-1(3)4;;;;/h2*5-8H,1-4H2;(H2,2,3,4);2*1H2;;/q2*-2;+1;;;2*+4/p-2
InChIKeySDGODMUQITUKTO-UHFFFAOYSA-L
XLogP3.99
TPSA215.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide?
The IUPAC name of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide (CID 6333896) is bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide.
What is the SMILES notation for bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide?
The canonical SMILES for bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide is O=[N+](O)O.[NH-]C1CCCCC1[NH-].[NH-]C1CCCCC1[NH-].[OH-].[OH-].[Pt+4].[Pt+4].
What is the InChIKey of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide?
The InChIKey is SDGODMUQITUKTO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12N2.H2NO3.2H2O.2Pt/c2*7-5-3-1-2-4-6(5)8;2-1(3)4;;;;/h2*5-8H,1-4H2;(H2,2,3,4);2*1H2;;/q2*-2;+1;;;2*+4/p-2.
What are the key properties of bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide?
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide has a molecular weight of 712.54 g/mol, XLogP of 3.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide is sourced from PubChem (CID 6333896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).