tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium

CHK3N6O6 — CID 135525507

IUPACtripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium
SMILES[K+].[K+].[K+].[O-]/N=[N+](\[O-])C(/[N+]([O-])=N/[O-])/[N+]([O-])=N/[O-]
InChIInChI=1S/CH4N6O6.3K/c8-2-5(11)1(6(12)3-9)7(13)4-10;;;/h1,8-10H;;;/q;3*+1/p-3/b5-2-,6-3-,7-4-;;;
InChIKeyLYNDVJHLCSYORE-MGVSGWJYSA-K
MW310.35 g/mol
LogP-9.34
Rot. Bonds3

About tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium

tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium (PubChem CID 135525507) has the molecular formula CHK3N6O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium.

Molecular Properties

Compound Nametripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium
PubChem CID135525507
Molecular FormulaCHK3N6O6
Molecular Weight310.35 g/mol
Exact Mass309.89
IUPAC Nametripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium
SMILES[K+].[K+].[K+].[O-]/N=[N+](\[O-])C(/[N+]([O-])=N/[O-])/[N+]([O-])=N/[O-]
InChIInChI=1S/CH4N6O6.3K/c8-2-5(11)1(6(12)3-9)7(13)4-10;;;/h1,8-10H;;;/q;3*+1/p-3/b5-2-,6-3-,7-4-;;;
InChIKeyLYNDVJHLCSYORE-MGVSGWJYSA-K
XLogP-9.34
TPSA184.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-9.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium
CID 135438450
sodium (Z)-methyl-oxido-oxidoiminoazanium
CID 172966410
nitrate nitrite
CID 22182872
potassium;bis(nitric acid);sulfane;nitrate
CID 174249776
ruthenium(2+);nitrate;nitrite
CID 175288692
dysprosium;dinitrate;nitrite;hexahydrate
CID 174912921
potassium;lanthanum(3+);tetranitrate
CID 158686941
dipotassium;thorium(4+);hexanitrate
CID 139125755
Ammonium calcium nitrate
CID 57348786
potassium;yttrium;nitrate
CID 174893642
dipotassium;chloride;nitrite
CID 161253797
(Z)-[3-azaniumylpropyl(propan-2-yl)amino]-oxido-oxidoiminoazanium
CID 135518410

Frequently Asked Questions

What is the IUPAC name of tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium?
The IUPAC name of tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium (CID 135525507) is tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium.
What is the SMILES notation for tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium?
The canonical SMILES for tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium is [K+].[K+].[K+].[O-]/N=[N+](\[O-])C(/[N+]([O-])=N/[O-])/[N+]([O-])=N/[O-].
What is the InChIKey of tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium?
The InChIKey is LYNDVJHLCSYORE-MGVSGWJYSA-K. The full InChI is InChI=1S/CH4N6O6.3K/c8-2-5(11)1(6(12)3-9)7(13)4-10;;;/h1,8-10H;;;/q;3*+1/p-3/b5-2-,6-3-,7-4-;;;.
What are the key properties of tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium?
tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium has a molecular weight of 310.35 g/mol, XLogP of -9.34, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium is sourced from PubChem (CID 135525507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).