bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite

C9H15BrN2O6Pt-3 — CID 58115580

IUPACbromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite
SMILESBr[Pt].O=C(O)C(=O)O.O=N[O-].[CH2-]C1CCCCC1[NH-]
InChIInChI=1S/C7H13N.C2H2O4.BrH.HNO2.Pt/c1-6-4-2-3-5-7(6)8;3-1(4)2(5)6;;2-1-3;/h6-8H,1-5H2;(H,3,4)(H,5,6);1H;(H,2,3);/q-2;;;;+1/p-2
InChIKeyREPJBZBJUCIPMO-UHFFFAOYSA-L
MW522.21 g/mol
LogP2.68
Rot. Bonds

About bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite

bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite (PubChem CID 58115580) has the molecular formula C9H15BrN2O6Pt-3 and a molecular weight of 522.21 g/mol. Its IUPAC name is bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite.

Molecular Properties

Compound Namebromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite
PubChem CID58115580
Molecular FormulaC9H15BrN2O6Pt-3
Molecular Weight522.21 g/mol
Exact Mass520.98
IUPAC Namebromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite
SMILESBr[Pt].O=C(O)C(=O)O.O=N[O-].[CH2-]C1CCCCC1[NH-]
InChIInChI=1S/C7H13N.C2H2O4.BrH.HNO2.Pt/c1-6-4-2-3-5-7(6)8;3-1(4)2(5)6;;2-1-3;/h6-8H,1-5H2;(H,3,4)(H,5,6);1H;(H,2,3);/q-2;;;;+1/p-2
InChIKeyREPJBZBJUCIPMO-UHFFFAOYSA-L
XLogP2.68
TPSA150.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite?
The IUPAC name of bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite (CID 58115580) is bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite.
What is the SMILES notation for bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite?
The canonical SMILES for bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite is Br[Pt].O=C(O)C(=O)O.O=N[O-].[CH2-]C1CCCCC1[NH-].
What is the InChIKey of bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite?
The InChIKey is REPJBZBJUCIPMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H13N.C2H2O4.BrH.HNO2.Pt/c1-6-4-2-3-5-7(6)8;3-1(4)2(5)6;;2-1-3;/h6-8H,1-5H2;(H,3,4)(H,5,6);1H;(H,2,3);/q-2;;;;+1/p-2.
What are the key properties of bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite?
bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite has a molecular weight of 522.21 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite is sourced from PubChem (CID 58115580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).