azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate

C7H26Cl2N10O9Pt2-6 — CID 169431831

IUPACazanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate
SMILESCl[Pt+].Cl[Pt+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-]CCCC[NH2+]CCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C7H17N3.2ClH.3NO3.4H2N.2Pt/c8-4-1-2-6-10-7-3-5-9;;;3*2-1(3)4;;;;;;/h8-10H,1-7H2;2*1H;;;;4*1H2;;/q-2;;;7*-1;2*+2/p-1
InChIKeyVGFLPKROVYAFIW-UHFFFAOYSA-M
MW855.41 g/mol
LogP4.35
Rot. Bonds7

About azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate

azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate (PubChem CID 169431831) has the molecular formula C7H26Cl2N10O9Pt2-6 and a molecular weight of 855.41 g/mol. Its IUPAC name is azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate.

Molecular Properties

Compound Nameazanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate
PubChem CID169431831
Molecular FormulaC7H26Cl2N10O9Pt2-6
Molecular Weight855.41 g/mol
Exact Mass854.06
IUPAC Nameazanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate
SMILESCl[Pt+].Cl[Pt+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-]CCCC[NH2+]CCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C7H17N3.2ClH.3NO3.4H2N.2Pt/c8-4-1-2-6-10-7-3-5-9;;;3*2-1(3)4;;;;;;/h8-10H,1-7H2;2*1H;;;;4*1H2;;/q-2;;;7*-1;2*+2/p-1
InChIKeyVGFLPKROVYAFIW-UHFFFAOYSA-M
XLogP4.35
TPSA396.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500855.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Azanide;5-[4-(5-azanidylpentylazaniumyl)butylazaniumyl]pentylazanide;bis(chloroplatinum(1+));tetranitrate
CID 158047675
Azanide;3-(4-azanidylbutylazaniumyl)propylazanide;carbanide;bis(chloroplatinum(1+));trinitrate
CID 160429427
Azanide;3-[4-(3-azanidylpropylazaniumyl)butylazaniumyl]propylazanide;bis(chloroplatinum(1+));tetranitrate
CID 169428663
3-Aminopropyl-[4-(3-aminopropylazaniumyl)butyl]azanium;azane;tetrakis(nitric acid);bis(platinum(2+));dichloride
CID 9811806
Azanide;3-(4-azanidylbutylamino)propylazanide;chloroplatinum;nitric acid;dinitrate
CID 9854189
4-Aminobutyl(3-aminopropyl)azanium;azane;tris(nitric acid);bis(platinum(2+));dichloride
CID 9940897

Frequently Asked Questions

What is the IUPAC name of azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate?
The IUPAC name of azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate (CID 169431831) is azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate.
What is the SMILES notation for azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate?
The canonical SMILES for azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate is Cl[Pt+].Cl[Pt+].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH-]CCCC[NH2+]CCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate?
The InChIKey is VGFLPKROVYAFIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17N3.2ClH.3NO3.4H2N.2Pt/c8-4-1-2-6-10-7-3-5-9;;;3*2-1(3)4;;;;;;/h8-10H,1-7H2;2*1H;;;;4*1H2;;/q-2;;;7*-1;2*+2/p-1.
What are the key properties of azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate?
azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate has a molecular weight of 855.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;3-(4-azanidylbutylazaniumyl)propylazanide;bis(chloroplatinum(1+));trinitrate is sourced from PubChem (CID 169431831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).