diazanium;2-methylpropan-1-olate;nitrate

C4H17N3O4 — CID 141168982

IUPACdiazanium;2-methylpropan-1-olate;nitrate
SMILESCC(C)C[O-].O=[N+]([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H9O.NO3.2H3N/c1-4(2)3-5;2-1(3)4;;/h4H,3H2,1-2H3;;2*1H3/q2*-1;;/p+2
InChIKeyRAZCQEKUVPVBMP-UHFFFAOYSA-P
MW171.20 g/mol
LogP0.52
Rot. Bonds1

About diazanium;2-methylpropan-1-olate;nitrate

diazanium;2-methylpropan-1-olate;nitrate (PubChem CID 141168982) has the molecular formula C4H17N3O4 and a molecular weight of 171.20 g/mol. Its IUPAC name is diazanium;2-methylpropan-1-olate;nitrate.

Molecular Properties

Compound Namediazanium;2-methylpropan-1-olate;nitrate
PubChem CID141168982
Molecular FormulaC4H17N3O4
Molecular Weight171.20 g/mol
Exact Mass171.12
IUPAC Namediazanium;2-methylpropan-1-olate;nitrate
SMILESCC(C)C[O-].O=[N+]([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C4H9O.NO3.2H3N/c1-4(2)3-5;2-1(3)4;;/h4H,3H2,1-2H3;;2*1H3/q2*-1;;/p+2
InChIKeyRAZCQEKUVPVBMP-UHFFFAOYSA-P
XLogP0.52
TPSA162.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

tris(2-methylpropan-1-olate);oxygen(2-);vanadium
CID 22290025
bis(2-methylpropan-1-olate);bis(tetramethylazanium)
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tris(1-[bis(2-methylpropyl)phosphoryl]-2-methylpropane);holmium(3+);trinitrate
CID 139045509
2-methylbutane;nitric acid
CID 158412732
2-methyl-3-nitrobutane
CID 13185641
1-nitroethylphosphane
CID 89147319
magnesium;propan-2-ol;dinitrate
CID 172773063
potassium 1-nitroethanolate
CID 101085217
2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
CID 170782885
azanium;ethanol;nitrate
CID 172727764
azanium;silver;dinitrate
CID 23638970
diazanium;copper;tetranitrate
CID 172846491

Frequently Asked Questions

What is the IUPAC name of diazanium;2-methylpropan-1-olate;nitrate?
The IUPAC name of diazanium;2-methylpropan-1-olate;nitrate (CID 141168982) is diazanium;2-methylpropan-1-olate;nitrate.
What is the SMILES notation for diazanium;2-methylpropan-1-olate;nitrate?
The canonical SMILES for diazanium;2-methylpropan-1-olate;nitrate is CC(C)C[O-].O=[N+]([O-])[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;2-methylpropan-1-olate;nitrate?
The InChIKey is RAZCQEKUVPVBMP-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H9O.NO3.2H3N/c1-4(2)3-5;2-1(3)4;;/h4H,3H2,1-2H3;;2*1H3/q2*-1;;/p+2.
What are the key properties of diazanium;2-methylpropan-1-olate;nitrate?
diazanium;2-methylpropan-1-olate;nitrate has a molecular weight of 171.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-methylpropan-1-olate;nitrate is sourced from PubChem (CID 141168982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).