azanium;potassium;hydrogen carbonate;nitrate

CH5KN2O6 — CID 161270012

IUPACazanium;potassium;hydrogen carbonate;nitrate
SMILESO=C([O-])O.O=[N+]([O-])[O-].[K+].[NH4+]
InChIInChI=1S/CH2O3.K.NO3.H3N/c2-1(3)4;;2-1(3)4;/h(H2,2,3,4);;;1H3/q;+1;-1;
InChIKeyVDRMEOFQHDPEQK-UHFFFAOYSA-N
MW180.16 g/mol
LogP-3.97
Rot. Bonds

About azanium;potassium;hydrogen carbonate;nitrate

azanium;potassium;hydrogen carbonate;nitrate (PubChem CID 161270012) has the molecular formula CH5KN2O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is azanium;potassium;hydrogen carbonate;nitrate.

Molecular Properties

Compound Nameazanium;potassium;hydrogen carbonate;nitrate
PubChem CID161270012
Molecular FormulaCH5KN2O6
Molecular Weight180.16 g/mol
Exact Mass179.98
IUPAC Nameazanium;potassium;hydrogen carbonate;nitrate
SMILESO=C([O-])O.O=[N+]([O-])[O-].[K+].[NH4+]
InChIInChI=1S/CH2O3.K.NO3.H3N/c2-1(3)4;;2-1(3)4;/h(H2,2,3,4);;;1H3/q;+1;-1;
InChIKeyVDRMEOFQHDPEQK-UHFFFAOYSA-N
XLogP-3.97
TPSA163.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium;potassium;hydrogen carbonate;nitrate?
The IUPAC name of azanium;potassium;hydrogen carbonate;nitrate (CID 161270012) is azanium;potassium;hydrogen carbonate;nitrate.
What is the SMILES notation for azanium;potassium;hydrogen carbonate;nitrate?
The canonical SMILES for azanium;potassium;hydrogen carbonate;nitrate is O=C([O-])O.O=[N+]([O-])[O-].[K+].[NH4+].
What is the InChIKey of azanium;potassium;hydrogen carbonate;nitrate?
The InChIKey is VDRMEOFQHDPEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.K.NO3.H3N/c2-1(3)4;;2-1(3)4;/h(H2,2,3,4);;;1H3/q;+1;-1;.
What are the key properties of azanium;potassium;hydrogen carbonate;nitrate?
azanium;potassium;hydrogen carbonate;nitrate has a molecular weight of 180.16 g/mol, XLogP of -3.97, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;potassium;hydrogen carbonate;nitrate is sourced from PubChem (CID 161270012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).