2-azaniumylethylazanium dinitrate

C2H10N4O6 — CID 15606545

IUPAC2-azaniumylethylazanium dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.2NO3/c3-1-2-4;2*2-1(3)4/h1-4H2;;/q;2*-1/p+2
InChIKeyPZFLLCJOKHGTEJ-UHFFFAOYSA-P
MW186.12 g/mol
LogP-3.01
Rot. Bonds1

About 2-azaniumylethylazanium dinitrate

2-azaniumylethylazanium dinitrate (PubChem CID 15606545) has the molecular formula C2H10N4O6 and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-azaniumylethylazanium dinitrate.

Molecular Properties

Compound Name2-azaniumylethylazanium dinitrate
PubChem CID15606545
Molecular FormulaC2H10N4O6
Molecular Weight186.12 g/mol
Exact Mass186.06
IUPAC Name2-azaniumylethylazanium dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.2NO3/c3-1-2-4;2*2-1(3)4/h1-4H2;;/q;2*-1/p+2
InChIKeyPZFLLCJOKHGTEJ-UHFFFAOYSA-P
XLogP-3.01
TPSA187.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-3.01
H-Bond Donors ≤ 52
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'}

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Related Compounds

1,2-Ethanediamine, nitrate (1:2)
CID 12200823
trans-Dinitrobis(ethylenediamine)cobalt(III) nitrate
CID 16217314
Nitric acid--ethane-1,2-diamine (1/1)
CID 12200828
N'-dinitroethylenediamine
CID 88120472
Bis-ethylenediamine nitrate
CID 129831173
Ethylazanium dinitrate
CID 129864337
Platinum(4+), tris(1,2-ethanediamine-kappaN1,kappaN2)-, (OC-6-11)-, nitrate (1:4)
CID 176260
Palladium(2+), diaqua(1,2-ethanediamine-N,N')-, (SP-4-2)-initrate
CID 151749
Ethane-1,2-diamine; tetranitrosooxycobalt(1-)
CID 498579
Propyl-1,3-diammonium dinitrate
CID 129880664
Platinum(II), diaqua(1,2-ethanediammine-N,N')-, (SP-4-2)-, dinitrate
CID 162674
Bis(ethylenediamine-N,N')palladium(2+) dinitrite
CID 119057726

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethylazanium dinitrate?
The IUPAC name of 2-azaniumylethylazanium dinitrate (CID 15606545) is 2-azaniumylethylazanium dinitrate.
What is the SMILES notation for 2-azaniumylethylazanium dinitrate?
The canonical SMILES for 2-azaniumylethylazanium dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[NH3+]CC[NH3+].
What is the InChIKey of 2-azaniumylethylazanium dinitrate?
The InChIKey is PZFLLCJOKHGTEJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C2H8N2.2NO3/c3-1-2-4;2*2-1(3)4/h1-4H2;;/q;2*-1/p+2.
What are the key properties of 2-azaniumylethylazanium dinitrate?
2-azaniumylethylazanium dinitrate has a molecular weight of 186.12 g/mol, XLogP of -3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium dinitrate is sourced from PubChem (CID 15606545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).