(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate

C11H19N3O5Pt — CID 131882850

IUPAC(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate
SMILESCC(=O)[CH-]C(C)=O.O=[N+]([O-])[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C6H12N2.C5H7O2.NO3.Pt/c7-5-3-1-2-4-6(5)8;1-4(6)3-5(2)7;2-1(3)4;/h5-8H,1-4H2;3H,1-2H3;;/q-2;2*-1;+4
InChIKeyUFGOUBCZRFJTQX-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.53
Rot. Bonds2

About (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate

(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate (PubChem CID 131882850) has the molecular formula C11H19N3O5Pt and a molecular weight of 468.37 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate.

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate
PubChem CID131882850
Molecular FormulaC11H19N3O5Pt
Molecular Weight468.37 g/mol
Exact Mass468.10
IUPAC Name(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate
SMILESCC(=O)[CH-]C(C)=O.O=[N+]([O-])[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C6H12N2.C5H7O2.NO3.Pt/c7-5-3-1-2-4-6(5)8;1-4(6)3-5(2)7;2-1(3)4;/h5-8H,1-4H2;3H,1-2H3;;/q-2;2*-1;+4
InChIKeyUFGOUBCZRFJTQX-UHFFFAOYSA-N
XLogP2.53
TPSA147.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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

bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
CID 175675477
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
CID 6333896
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
CID 6333545
(2-azanidylcyclohexyl)azanide;carbanide;platinum(4+)
CID 59018646
(2-azanidylcyclohexyl)azanide;platinum(4+);dihydroxide
CID 50909744
(2-azanidylcyclopentyl)azanide;oxalate;platinum(4+)
CID 138401620
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
CID 20519095
(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
CID 24843077
(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate
CID 131851748
[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)
CID 90467721
bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)
CID 131887682

Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate?
The IUPAC name of (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate (CID 131882850) is (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate.
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate is CC(=O)[CH-]C(C)=O.O=[N+]([O-])[O-].[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate?
The InChIKey is UFGOUBCZRFJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C5H7O2.NO3.Pt/c7-5-3-1-2-4-6(5)8;1-4(6)3-5(2)7;2-1(3)4;/h5-8H,1-4H2;3H,1-2H3;;/q-2;2*-1;+4.
What are the key properties of (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate?
(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate has a molecular weight of 468.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate is sourced from PubChem (CID 131882850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).