tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate

C24H25Cu3N11O7 — CID 139140071

IUPACtricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].c1ccncc1.c1ccncc1.c1ccncc1.c1cn[n-]c1.c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/3C5H5N.3C3H3N2.3Cu.2NO3.H2O/c3*1-2-4-6-5-3-1;3*1-2-4-5-3-1;;;;2*2-1(3)4;/h3*1-5H;3*1-3H;;;;;;1H2/q;;;3*-1;3*+2;2*-1;/p-1
InChIKeyTXAMMVPHTJCPGX-UHFFFAOYSA-M
MW770.17 g/mol
LogP2.70
Rot. Bonds

About tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate

tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate (PubChem CID 139140071) has the molecular formula C24H25Cu3N11O7 and a molecular weight of 770.17 g/mol. Its IUPAC name is tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate.

Molecular Properties

Compound Nametricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate
PubChem CID139140071
Molecular FormulaC24H25Cu3N11O7
Molecular Weight770.17 g/mol
Exact Mass767.98
IUPAC Nametricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].c1ccncc1.c1ccncc1.c1ccncc1.c1cn[n-]c1.c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/3C5H5N.3C3H3N2.3Cu.2NO3.H2O/c3*1-2-4-6-5-3-1;3*1-2-4-5-3-1;;;;2*2-1(3)4;/h3*1-5H;3*1-3H;;;;;;1H2/q;;;3*-1;3*+2;2*-1;/p-1
InChIKeyTXAMMVPHTJCPGX-UHFFFAOYSA-M
XLogP2.70
TPSA282.04 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate?
The IUPAC name of tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate (CID 139140071) is tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate.
What is the SMILES notation for tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate?
The canonical SMILES for tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].c1ccncc1.c1ccncc1.c1ccncc1.c1cn[n-]c1.c1cn[n-]c1.c1cn[n-]c1.
What is the InChIKey of tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate?
The InChIKey is TXAMMVPHTJCPGX-UHFFFAOYSA-M. The full InChI is InChI=1S/3C5H5N.3C3H3N2.3Cu.2NO3.H2O/c3*1-2-4-6-5-3-1;3*1-2-4-5-3-1;;;;2*2-1(3)4;/h3*1-5H;3*1-3H;;;;;;1H2/q;;;3*-1;3*+2;2*-1;/p-1.
What are the key properties of tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate?
tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate has a molecular weight of 770.17 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;tris(pyrazol-1-ide);tris(pyridine);hydroxide;dinitrate is sourced from PubChem (CID 139140071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).