azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)

C10H12N4PtS2 — CID 143861641

IUPACazanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)
SMILESCc1cc2nc([S-])c([S-])nc2cc1C.[NH2-].[NH2-].[Pt+4]
InChIInChI=1S/C10H10N2S2.2H2N.Pt/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7;;;/h3-4H,1-2H3,(H,11,13)(H,12,14);2*1H2;/q;2*-1;+4/p-2
InChIKeyISMMSROECBADTL-UHFFFAOYSA-L
MW447.45 g/mol
LogP3.49
Rot. Bonds

About azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)

azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+) (PubChem CID 143861641) has the molecular formula C10H12N4PtS2 and a molecular weight of 447.45 g/mol. Its IUPAC name is azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+).

Molecular Properties

Compound Nameazanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)
PubChem CID143861641
Molecular FormulaC10H12N4PtS2
Molecular Weight447.45 g/mol
Exact Mass447.02
IUPAC Nameazanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)
SMILESCc1cc2nc([S-])c([S-])nc2cc1C.[NH2-].[NH2-].[Pt+4]
InChIInChI=1S/C10H10N2S2.2H2N.Pt/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7;;;/h3-4H,1-2H3,(H,11,13)(H,12,14);2*1H2;/q;2*-1;+4/p-2
InChIKeyISMMSROECBADTL-UHFFFAOYSA-L
XLogP3.49
TPSA92.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)?
The IUPAC name of azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+) (CID 143861641) is azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+).
What is the SMILES notation for azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)?
The canonical SMILES for azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+) is Cc1cc2nc([S-])c([S-])nc2cc1C.[NH2-].[NH2-].[Pt+4].
What is the InChIKey of azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)?
The InChIKey is ISMMSROECBADTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H10N2S2.2H2N.Pt/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7;;;/h3-4H,1-2H3,(H,11,13)(H,12,14);2*1H2;/q;2*-1;+4/p-2.
What are the key properties of azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)?
azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+) has a molecular weight of 447.45 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+) is sourced from PubChem (CID 143861641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).