nitrooxy(oxido)azanium

H2N2O4 — CID 22107609

IUPACnitrooxy(oxido)azanium
SMILESO=[N+]([O-])O[NH2+][O-]
InChIInChI=1S/H2N2O4/c3-1-6-2(4)5/h1H2
InChIKeyXQITZJQZRNIFCU-UHFFFAOYSA-N
MW94.03 g/mol
LogP-1.83
Rot. Bonds2

About nitrooxy(oxido)azanium

nitrooxy(oxido)azanium (PubChem CID 22107609) has the molecular formula H2N2O4 and a molecular weight of 94.03 g/mol. Its IUPAC name is nitrooxy(oxido)azanium.

Molecular Properties

Compound Namenitrooxy(oxido)azanium
PubChem CID22107609
Molecular FormulaH2N2O4
Molecular Weight94.03 g/mol
Exact Mass94.00
IUPAC Namenitrooxy(oxido)azanium
SMILESO=[N+]([O-])O[NH2+][O-]
InChIInChI=1S/H2N2O4/c3-1-6-2(4)5/h1H2
InChIKeyXQITZJQZRNIFCU-UHFFFAOYSA-N
XLogP-1.83
TPSA92.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.03
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 nitrooxy(oxido)azanium?
The IUPAC name of nitrooxy(oxido)azanium (CID 22107609) is nitrooxy(oxido)azanium.
What is the SMILES notation for nitrooxy(oxido)azanium?
The canonical SMILES for nitrooxy(oxido)azanium is O=[N+]([O-])O[NH2+][O-].
What is the InChIKey of nitrooxy(oxido)azanium?
The InChIKey is XQITZJQZRNIFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O4/c3-1-6-2(4)5/h1H2.
What are the key properties of nitrooxy(oxido)azanium?
nitrooxy(oxido)azanium has a molecular weight of 94.03 g/mol, XLogP of -1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrooxy(oxido)azanium is sourced from PubChem (CID 22107609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).