copper;bis(1-methylimidazole);dinitrite

C8H12CuN6O4 — CID 139083429

IUPACcopper;bis(1-methylimidazole);dinitrite
SMILESCn1ccnc1.Cn1ccnc1.O=N[O-].O=N[O-].[Cu+2]
InChIInChI=1S/2C4H6N2.Cu.2HNO2/c2*1-6-3-2-5-4-6;;2*2-1-3/h2*2-4H,1H3;;2*(H,2,3)/q;;+2;;/p-2
InChIKeyFOFCKLPUNGAZGB-UHFFFAOYSA-L
MW319.77 g/mol
LogP1.34
Rot. Bonds

About copper;bis(1-methylimidazole);dinitrite

copper;bis(1-methylimidazole);dinitrite (PubChem CID 139083429) has the molecular formula C8H12CuN6O4 and a molecular weight of 319.77 g/mol. Its IUPAC name is copper;bis(1-methylimidazole);dinitrite.

Molecular Properties

Compound Namecopper;bis(1-methylimidazole);dinitrite
PubChem CID139083429
Molecular FormulaC8H12CuN6O4
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Namecopper;bis(1-methylimidazole);dinitrite
SMILESCn1ccnc1.Cn1ccnc1.O=N[O-].O=N[O-].[Cu+2]
InChIInChI=1S/2C4H6N2.Cu.2HNO2/c2*1-6-3-2-5-4-6;;2*2-1-3/h2*2-4H,1H3;;2*(H,2,3)/q;;+2;;/p-2
InChIKeyFOFCKLPUNGAZGB-UHFFFAOYSA-L
XLogP1.34
TPSA140.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

aluminum;bis(1-methylimidazole);trichloride
CID 22075407
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CID 67251829
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CID 10270176
CID 173148040
CID 173148040
ethene;1-methylimidazole
CID 70468306
hydron;1-methylimidazole;tetrafluoroborate
CID 122361255
tetrakis(1-methylimidazole);platinum(2+);diperchlorate
CID 139054952
barium(2+);ethane;1-methylimidazole;difluoride
CID 144994303
1-methylimidazole;phosphoric acid;hexahydrofluoride
CID 158112836
1-methylimidazole;tetrachlorotitanium
CID 174841078
ethane;1-methylimidazole;N-methylmethanamine
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dichloromercury;bis(1-methylimidazole)
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Frequently Asked Questions

What is the IUPAC name of copper;bis(1-methylimidazole);dinitrite?
The IUPAC name of copper;bis(1-methylimidazole);dinitrite (CID 139083429) is copper;bis(1-methylimidazole);dinitrite.
What is the SMILES notation for copper;bis(1-methylimidazole);dinitrite?
The canonical SMILES for copper;bis(1-methylimidazole);dinitrite is Cn1ccnc1.Cn1ccnc1.O=N[O-].O=N[O-].[Cu+2].
What is the InChIKey of copper;bis(1-methylimidazole);dinitrite?
The InChIKey is FOFCKLPUNGAZGB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6N2.Cu.2HNO2/c2*1-6-3-2-5-4-6;;2*2-1-3/h2*2-4H,1H3;;2*(H,2,3)/q;;+2;;/p-2.
What are the key properties of copper;bis(1-methylimidazole);dinitrite?
copper;bis(1-methylimidazole);dinitrite has a molecular weight of 319.77 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1-methylimidazole);dinitrite is sourced from PubChem (CID 139083429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).