imino(phosphonooxyimino)azanium

H3N3O4P+ — CID 172997904

IUPACimino(phosphonooxyimino)azanium
SMILESN=[N+]=NOP(=O)(O)O
InChIInChI=1S/H2N3O4P/c1-2-3-7-8(4,5)6/h1H,(H-,4,5,6)/p+1
InChIKeyRYQMACROPYWAAH-UHFFFAOYSA-O
MW140.02 g/mol
LogP-0.44
Rot. Bonds2

About imino(phosphonooxyimino)azanium

imino(phosphonooxyimino)azanium (PubChem CID 172997904) has the molecular formula H3N3O4P+ and a molecular weight of 140.02 g/mol. Its IUPAC name is imino(phosphonooxyimino)azanium.

Molecular Properties

Compound Nameimino(phosphonooxyimino)azanium
PubChem CID172997904
Molecular FormulaH3N3O4P+
Molecular Weight140.02 g/mol
Exact Mass139.99
IUPAC Nameimino(phosphonooxyimino)azanium
SMILESN=[N+]=NOP(=O)(O)O
InChIInChI=1S/H2N3O4P/c1-2-3-7-8(4,5)6/h1H,(H-,4,5,6)/p+1
InChIKeyRYQMACROPYWAAH-UHFFFAOYSA-O
XLogP-0.44
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.02
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 imino(phosphonooxyimino)azanium?
The IUPAC name of imino(phosphonooxyimino)azanium (CID 172997904) is imino(phosphonooxyimino)azanium.
What is the SMILES notation for imino(phosphonooxyimino)azanium?
The canonical SMILES for imino(phosphonooxyimino)azanium is N=[N+]=NOP(=O)(O)O.
What is the InChIKey of imino(phosphonooxyimino)azanium?
The InChIKey is RYQMACROPYWAAH-UHFFFAOYSA-O. The full InChI is InChI=1S/H2N3O4P/c1-2-3-7-8(4,5)6/h1H,(H-,4,5,6)/p+1.
What are the key properties of imino(phosphonooxyimino)azanium?
imino(phosphonooxyimino)azanium has a molecular weight of 140.02 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino(phosphonooxyimino)azanium is sourced from PubChem (CID 172997904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).