potassium;azane;phosphoric acid;nitrate

H15KN4O11P2 — CID 174851331

IUPACpotassium;azane;phosphoric acid;nitrate
SMILESN.N.N.O=P(O)(O)O.O=P(O)(O)O.O=[N+]([O-])[O-].[K+]
InChIInChI=1S/K.NO3.3H3N.2H3O4P/c;2-1(3)4;;;;2*1-5(2,3)4/h;;3*1H3;2*(H3,1,2,3,4)/q+1;-1;;;;;
InChIKeyWTZPZMLILGARGX-UHFFFAOYSA-N
MW348.18 g/mol
LogP-4.61
Rot. Bonds

About potassium;azane;phosphoric acid;nitrate

potassium;azane;phosphoric acid;nitrate (PubChem CID 174851331) has the molecular formula H15KN4O11P2 and a molecular weight of 348.18 g/mol. Its IUPAC name is potassium;azane;phosphoric acid;nitrate.

Molecular Properties

Compound Namepotassium;azane;phosphoric acid;nitrate
PubChem CID174851331
Molecular FormulaH15KN4O11P2
Molecular Weight348.18 g/mol
Exact Mass347.98
IUPAC Namepotassium;azane;phosphoric acid;nitrate
SMILESN.N.N.O=P(O)(O)O.O=P(O)(O)O.O=[N+]([O-])[O-].[K+]
InChIInChI=1S/K.NO3.3H3N.2H3O4P/c;2-1(3)4;;;;2*1-5(2,3)4/h;;3*1H3;2*(H3,1,2,3,4)/q+1;-1;;;;;
InChIKeyWTZPZMLILGARGX-UHFFFAOYSA-N
XLogP-4.61
TPSA326.72 Ų
H-Bond Donors9
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.18
LogP ≤ 5-4.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;azane;phosphoric acid;nitrate?
The IUPAC name of potassium;azane;phosphoric acid;nitrate (CID 174851331) is potassium;azane;phosphoric acid;nitrate.
What is the SMILES notation for potassium;azane;phosphoric acid;nitrate?
The canonical SMILES for potassium;azane;phosphoric acid;nitrate is N.N.N.O=P(O)(O)O.O=P(O)(O)O.O=[N+]([O-])[O-].[K+].
What is the InChIKey of potassium;azane;phosphoric acid;nitrate?
The InChIKey is WTZPZMLILGARGX-UHFFFAOYSA-N. The full InChI is InChI=1S/K.NO3.3H3N.2H3O4P/c;2-1(3)4;;;;2*1-5(2,3)4/h;;3*1H3;2*(H3,1,2,3,4)/q+1;-1;;;;;.
What are the key properties of potassium;azane;phosphoric acid;nitrate?
potassium;azane;phosphoric acid;nitrate has a molecular weight of 348.18 g/mol, XLogP of -4.61, 0 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azane;phosphoric acid;nitrate is sourced from PubChem (CID 174851331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).