(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)

C14H15N3O6Pt — CID 24843077

IUPAC(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
SMILESO=C([O-])c1cccc(C(=O)[O-])c1[N+](=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C8H5NO6.C6H12N2.Pt/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;7-5-3-1-2-4-6(5)8;/h1-3H,(H,10,11)(H,12,13);5-8H,1-4H2;/q;-2;+4/p-2
InChIKeyLCIYZKUHQFWZDQ-UHFFFAOYSA-L
MW516.37 g/mol
LogP0.72
Rot. Bonds3

About (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)

(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+) (PubChem CID 24843077) has the molecular formula C14H15N3O6Pt and a molecular weight of 516.37 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+).

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
PubChem CID24843077
Molecular FormulaC14H15N3O6Pt
Molecular Weight516.37 g/mol
Exact Mass516.06
IUPAC Name(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
SMILESO=C([O-])c1cccc(C(=O)[O-])c1[N+](=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C8H5NO6.C6H12N2.Pt/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;7-5-3-1-2-4-6(5)8;/h1-3H,(H,10,11)(H,12,13);5-8H,1-4H2;/q;-2;+4/p-2
InChIKeyLCIYZKUHQFWZDQ-UHFFFAOYSA-L
XLogP0.72
TPSA171.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-nitrobenzene-1,3-dicarboxylate
CID 19386615
(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)
CID 56843649
(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-4-nitrobenzoate;platinum(4+)
CID 24843067
(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)
CID 24843064
bis(2,3-dinitrobenzoate);nickel(2+)
CID 175806304
silver 3-methyl-2-nitrobenzoate
CID 162078770
3-acetamido-2-nitrobenzoate
CID 7154741
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
CID 175675477
3-(cyclohexylamino)-2-nitrobenzoic acid
CID 113332017
3-(2,6-dimethylpiperidin-1-yl)-2-nitrobenzoic acid
CID 115542114
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193

Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)?
The IUPAC name of (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+) (CID 24843077) is (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+).
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+) is O=C([O-])c1cccc(C(=O)[O-])c1[N+](=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)?
The InChIKey is LCIYZKUHQFWZDQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H5NO6.C6H12N2.Pt/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;7-5-3-1-2-4-6(5)8;/h1-3H,(H,10,11)(H,12,13);5-8H,1-4H2;/q;-2;+4/p-2.
What are the key properties of (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)?
(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+) has a molecular weight of 516.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+) is sourced from PubChem (CID 24843077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).