dihydroxy(oxo)phosphanium;diiminoazanium

H4N3O3P+2 — CID 174556145

IUPACdihydroxy(oxo)phosphanium;diiminoazanium
SMILESN=[N+]=N.O=[P+](O)O
InChIInChI=1S/H2N3.HO3P/c1-3-2;1-4(2)3/h1-2H;(H-,1,2,3)/q+1;/p+1
InChIKeyWXFWDPYOLXDMQJ-UHFFFAOYSA-O
MW125.02 g/mol
LogP-0.26
Rot. Bonds

About dihydroxy(oxo)phosphanium;diiminoazanium

dihydroxy(oxo)phosphanium;diiminoazanium (PubChem CID 174556145) has the molecular formula H4N3O3P+2 and a molecular weight of 125.02 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;diiminoazanium.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;diiminoazanium
PubChem CID174556145
Molecular FormulaH4N3O3P+2
Molecular Weight125.02 g/mol
Exact Mass125.00
IUPAC Namedihydroxy(oxo)phosphanium;diiminoazanium
SMILESN=[N+]=N.O=[P+](O)O
InChIInChI=1S/H2N3.HO3P/c1-3-2;1-4(2)3/h1-2H;(H-,1,2,3)/q+1;/p+1
InChIKeyWXFWDPYOLXDMQJ-UHFFFAOYSA-O
XLogP-0.26
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.02
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;diiminoazanium?
The IUPAC name of dihydroxy(oxo)phosphanium;diiminoazanium (CID 174556145) is dihydroxy(oxo)phosphanium;diiminoazanium.
What is the SMILES notation for dihydroxy(oxo)phosphanium;diiminoazanium?
The canonical SMILES for dihydroxy(oxo)phosphanium;diiminoazanium is N=[N+]=N.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;diiminoazanium?
The InChIKey is WXFWDPYOLXDMQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/H2N3.HO3P/c1-3-2;1-4(2)3/h1-2H;(H-,1,2,3)/q+1;/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;diiminoazanium?
dihydroxy(oxo)phosphanium;diiminoazanium has a molecular weight of 125.02 g/mol, XLogP of -0.26, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;diiminoazanium is sourced from PubChem (CID 174556145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).