trihydroxyazanium

H4NO3+ — CID 140586303

IUPACtrihydroxyazanium
SMILESO[NH+](O)O
InChIInChI=1S/H4NO3/c2-1(3)4/h1-4H/q+1
InChIKeyYTSJNNNYBJKKAQ-UHFFFAOYSA-N
MW66.04 g/mol
LogP-1.96
Rot. Bonds

About trihydroxyazanium

trihydroxyazanium (PubChem CID 140586303) has the molecular formula H4NO3+ and a molecular weight of 66.04 g/mol. Its IUPAC name is trihydroxyazanium.

Molecular Properties

Compound Nametrihydroxyazanium
PubChem CID140586303
Molecular FormulaH4NO3+
Molecular Weight66.04 g/mol
Exact Mass66.02
IUPAC Nametrihydroxyazanium
SMILESO[NH+](O)O
InChIInChI=1S/H4NO3/c2-1(3)4/h1-4H/q+1
InChIKeyYTSJNNNYBJKKAQ-UHFFFAOYSA-N
XLogP-1.96
TPSA65.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.04
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxyazanium?
The IUPAC name of trihydroxyazanium (CID 140586303) is trihydroxyazanium.
What is the SMILES notation for trihydroxyazanium?
The canonical SMILES for trihydroxyazanium is O[NH+](O)O.
What is the InChIKey of trihydroxyazanium?
The InChIKey is YTSJNNNYBJKKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H4NO3/c2-1(3)4/h1-4H/q+1.
What are the key properties of trihydroxyazanium?
trihydroxyazanium has a molecular weight of 66.04 g/mol, XLogP of -1.96, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxyazanium is sourced from PubChem (CID 140586303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).