azanium;ethanol;nitrate

C6H22N2O6 — CID 172727764

IUPACazanium;ethanol;nitrate
SMILESCCO.CCO.CCO.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/3C2H6O.NO3.H3N/c3*1-2-3;2-1(3)4;/h3*3H,2H2,1H3;;1H3/q;;;-1;/p+1
InChIKeyHJJIHKVNBZJRPI-UHFFFAOYSA-O
MW218.25 g/mol
LogP0.13
Rot. Bonds

About azanium;ethanol;nitrate

azanium;ethanol;nitrate (PubChem CID 172727764) has the molecular formula C6H22N2O6 and a molecular weight of 218.25 g/mol. Its IUPAC name is azanium;ethanol;nitrate.

Molecular Properties

Compound Nameazanium;ethanol;nitrate
PubChem CID172727764
Molecular FormulaC6H22N2O6
Molecular Weight218.25 g/mol
Exact Mass218.15
IUPAC Nameazanium;ethanol;nitrate
SMILESCCO.CCO.CCO.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/3C2H6O.NO3.H3N/c3*1-2-3;2-1(3)4;/h3*3H,2H2,1H3;;1H3/q;;;-1;/p+1
InChIKeyHJJIHKVNBZJRPI-UHFFFAOYSA-O
XLogP0.13
TPSA163.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azanium;ethanol;nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;nitramide;bis(nitric acid)
CID 159870281
silver;ethane-1,2-diol;nitrate
CID 87126324
aluminum;butan-1-ol;trinitrate
CID 174555248
2-ethyl-2-(hydroxymethyl)propane-1,3-diol trinitrate
CID 23002731
cobalt(2+);methanol;dinitrate
CID 159896779
azanium;cerium;hydrogen peroxide;nitrate
CID 172815710
europium(3+);methanol;trinitrate
CID 174901506
propan-1-ol;bis(propan-1-olate);zirconium(4+);dinitrate;hydrate
CID 22492669
bismuth;ethane-1,2-diol;trinitrate;pentahydrate
CID 158381527
azanium;gadolinium;nitrate
CID 174958053
azanium;phosphanium;dinitrate
CID 172693026
cadmium(2+);ethanol;dichloride
CID 158788314

Frequently Asked Questions

What is the IUPAC name of azanium;ethanol;nitrate?
The IUPAC name of azanium;ethanol;nitrate (CID 172727764) is azanium;ethanol;nitrate.
What is the SMILES notation for azanium;ethanol;nitrate?
The canonical SMILES for azanium;ethanol;nitrate is CCO.CCO.CCO.O=[N+]([O-])[O-].[NH4+].
What is the InChIKey of azanium;ethanol;nitrate?
The InChIKey is HJJIHKVNBZJRPI-UHFFFAOYSA-O. The full InChI is InChI=1S/3C2H6O.NO3.H3N/c3*1-2-3;2-1(3)4;/h3*3H,2H2,1H3;;1H3/q;;;-1;/p+1.
What are the key properties of azanium;ethanol;nitrate?
azanium;ethanol;nitrate has a molecular weight of 218.25 g/mol, XLogP of 0.13, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;nitrate is sourced from PubChem (CID 172727764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).