azane;platinum;trinitrate

H12N7O9Pt-3 — CID 173188765

IUPACazane;platinum;trinitrate
SMILESN.N.N.N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt]
InChIInChI=1S/3NO3.4H3N.Pt/c3*2-1(3)4;;;;;/h;;;4*1H3;/q3*-1;;;;;
InChIKeySVSIZQLWZLPIFW-UHFFFAOYSA-N
MW449.21 g/mol
LogP-0.07
Rot. Bonds

About azane;platinum;trinitrate

azane;platinum;trinitrate (PubChem CID 173188765) has the molecular formula H12N7O9Pt-3 and a molecular weight of 449.21 g/mol. Its IUPAC name is azane;platinum;trinitrate.

Molecular Properties

Compound Nameazane;platinum;trinitrate
PubChem CID173188765
Molecular FormulaH12N7O9Pt-3
Molecular Weight449.21 g/mol
Exact Mass449.04
IUPAC Nameazane;platinum;trinitrate
SMILESN.N.N.N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt]
InChIInChI=1S/3NO3.4H3N.Pt/c3*2-1(3)4;;;;;/h;;;4*1H3;/q3*-1;;;;;
InChIKeySVSIZQLWZLPIFW-UHFFFAOYSA-N
XLogP-0.07
TPSA338.60 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze azane;platinum;trinitrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;platinum;trinitrate?
The IUPAC name of azane;platinum;trinitrate (CID 173188765) is azane;platinum;trinitrate.
What is the SMILES notation for azane;platinum;trinitrate?
The canonical SMILES for azane;platinum;trinitrate is N.N.N.N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt].
What is the InChIKey of azane;platinum;trinitrate?
The InChIKey is SVSIZQLWZLPIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/3NO3.4H3N.Pt/c3*2-1(3)4;;;;;/h;;;4*1H3;/q3*-1;;;;;.
What are the key properties of azane;platinum;trinitrate?
azane;platinum;trinitrate has a molecular weight of 449.21 g/mol, XLogP of -0.07, 0 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for azane;platinum;trinitrate is sourced from PubChem (CID 173188765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).