(iminoazaniumylideneamino) hydrogen phosphate

H2N3O4P — CID 172997903

IUPAC(iminoazaniumylideneamino) hydrogen phosphate
SMILESN=[N+]=NOP(=O)([O-])O
InChIInChI=1S/H2N3O4P/c1-2-3-7-8(4,5)6/h1H,(H-,4,5,6)
InChIKeyRYQMACROPYWAAH-UHFFFAOYSA-N
MW139.01 g/mol
LogP-1.07
Rot. Bonds2

About (iminoazaniumylideneamino) hydrogen phosphate

(iminoazaniumylideneamino) hydrogen phosphate (PubChem CID 172997903) has the molecular formula H2N3O4P and a molecular weight of 139.01 g/mol. Its IUPAC name is (iminoazaniumylideneamino) hydrogen phosphate.

Molecular Properties

Compound Name(iminoazaniumylideneamino) hydrogen phosphate
PubChem CID172997903
Molecular FormulaH2N3O4P
Molecular Weight139.01 g/mol
Exact Mass138.98
IUPAC Name(iminoazaniumylideneamino) hydrogen phosphate
SMILESN=[N+]=NOP(=O)([O-])O
InChIInChI=1S/H2N3O4P/c1-2-3-7-8(4,5)6/h1H,(H-,4,5,6)
InChIKeyRYQMACROPYWAAH-UHFFFAOYSA-N
XLogP-1.07
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.01
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (iminoazaniumylideneamino) hydrogen phosphate?
The IUPAC name of (iminoazaniumylideneamino) hydrogen phosphate (CID 172997903) is (iminoazaniumylideneamino) hydrogen phosphate.
What is the SMILES notation for (iminoazaniumylideneamino) hydrogen phosphate?
The canonical SMILES for (iminoazaniumylideneamino) hydrogen phosphate is N=[N+]=NOP(=O)([O-])O.
What is the InChIKey of (iminoazaniumylideneamino) hydrogen phosphate?
The InChIKey is RYQMACROPYWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N3O4P/c1-2-3-7-8(4,5)6/h1H,(H-,4,5,6).
What are the key properties of (iminoazaniumylideneamino) hydrogen phosphate?
(iminoazaniumylideneamino) hydrogen phosphate has a molecular weight of 139.01 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (iminoazaniumylideneamino) hydrogen phosphate is sourced from PubChem (CID 172997903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).