(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium

C2H4N4O4-2 — CID 135438450

IUPAC(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium
SMILESCC(/[N+]([O-])=N/[O-])/[N+]([O-])=N/[O-]
InChIInChI=1S/C2H6N4O4/c1-2(5(9)3-7)6(10)4-8/h2,7-8H,1H3/p-2/b5-3-,6-4-
InChIKeyXYPQSQUOYHGEOG-GLIMQPGKSA-L
MW148.08 g/mol
LogP0.25
Rot. Bonds2

About (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium

(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium (PubChem CID 135438450) has the molecular formula C2H4N4O4-2 and a molecular weight of 148.08 g/mol. Its IUPAC name is (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium.

Molecular Properties

Compound Name(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium
PubChem CID135438450
Molecular FormulaC2H4N4O4-2
Molecular Weight148.08 g/mol
Exact Mass148.02
IUPAC Name(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium
SMILESCC(/[N+]([O-])=N/[O-])/[N+]([O-])=N/[O-]
InChIInChI=1S/C2H6N4O4/c1-2(5(9)3-7)6(10)4-8/h2,7-8H,1H3/p-2/b5-3-,6-4-
InChIKeyXYPQSQUOYHGEOG-GLIMQPGKSA-L
XLogP0.25
TPSA122.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.08
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

tripotassium;(Z)-bis[(Z)-oxido(oxidoimino)azaniumyl]methyl-oxido-oxidoiminoazanium
CID 135525507
sodium (Z)-methyl-oxido-oxidoiminoazanium
CID 172966410
hafnium;bis(propan-2-olate)
CID 157404523
(Z)-[3-azaniumylpropyl(propan-2-yl)amino]-oxido-oxidoiminoazanium
CID 135518410
(Z)-[(1S)-1-carboxy-2-methylpropyl]-hydroxyimino-oxidoazanium
CID 136633627
triazanium;2-hydroxypropanoate;nitrate;nitrite
CID 156790891
(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
CID 21313717
(Z)-hydroxyimino-oxido-(propan-2-ylamino)azanium
CID 135514547
3-methyl-4,4,4-trinitrobutanoic acid
CID 15312446
potassium 1-nitroethanolate
CID 101085217
1-nitroethylphosphane
CID 89147319
magnesium;propan-2-ol;dinitrate
CID 172773063

Frequently Asked Questions

What is the IUPAC name of (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium?
The IUPAC name of (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium (CID 135438450) is (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium.
What is the SMILES notation for (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium?
The canonical SMILES for (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium is CC(/[N+]([O-])=N/[O-])/[N+]([O-])=N/[O-].
What is the InChIKey of (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium?
The InChIKey is XYPQSQUOYHGEOG-GLIMQPGKSA-L. The full InChI is InChI=1S/C2H6N4O4/c1-2(5(9)3-7)6(10)4-8/h2,7-8H,1H3/p-2/b5-3-,6-4-.
What are the key properties of (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium?
(Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium has a molecular weight of 148.08 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oxido-oxidoimino-[1-[(Z)-oxido(oxidoimino)azaniumyl]ethyl]azanium is sourced from PubChem (CID 135438450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).