nitro(oxido)azanium

H2N2O3 — CID 58001803

IUPACnitro(oxido)azanium
SMILESO=[N+]([O-])[NH2+][O-]
InChIInChI=1S/H2N2O3/c3-1-2(4)5/h1H2
InChIKeyKVKGYNYSUPXPRQ-UHFFFAOYSA-N
MW78.03 g/mol
LogP-1.76
Rot. Bonds1

About nitro(oxido)azanium

nitro(oxido)azanium (PubChem CID 58001803) has the molecular formula H2N2O3 and a molecular weight of 78.03 g/mol. Its IUPAC name is nitro(oxido)azanium.

Molecular Properties

Compound Namenitro(oxido)azanium
PubChem CID58001803
Molecular FormulaH2N2O3
Molecular Weight78.03 g/mol
Exact Mass78.01
IUPAC Namenitro(oxido)azanium
SMILESO=[N+]([O-])[NH2+][O-]
InChIInChI=1S/H2N2O3/c3-1-2(4)5/h1H2
InChIKeyKVKGYNYSUPXPRQ-UHFFFAOYSA-N
XLogP-1.76
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.03
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nitramide
CID 24534
Oxyhyponitrite
CID 5491930
Dinitroamine
CID 9796883
Nitric hydrazide
CID 18347975
alpha-Nitrodiazo
CID 18761867
Nitramine hydrochloride
CID 129820275
Nitramido hypofluorite
CID 149151956
N-iodonitramide
CID 18763589
Amino-aminooxy-oxoazanium
CID 20195221
Hydrazinyl nitrate
CID 21758530
N-iminonitramide
CID 57419430
N-nitrosonitramide
CID 57428723

Frequently Asked Questions

What is the IUPAC name of nitro(oxido)azanium?
The IUPAC name of nitro(oxido)azanium (CID 58001803) is nitro(oxido)azanium.
What is the SMILES notation for nitro(oxido)azanium?
The canonical SMILES for nitro(oxido)azanium is O=[N+]([O-])[NH2+][O-].
What is the InChIKey of nitro(oxido)azanium?
The InChIKey is KVKGYNYSUPXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O3/c3-1-2(4)5/h1H2.
What are the key properties of nitro(oxido)azanium?
nitro(oxido)azanium has a molecular weight of 78.03 g/mol, XLogP of -1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitro(oxido)azanium is sourced from PubChem (CID 58001803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).