azanium;urea;nitrate

C2H12N6O5 — CID 172844548

IUPACazanium;urea;nitrate
SMILESNC(N)=O.NC(N)=O.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/2CH4N2O.NO3.H3N/c3*2-1(3)4;/h2*(H4,2,3,4);;1H3/q;;-1;/p+1
InChIKeyXFXZTBHCWJZRJB-UHFFFAOYSA-O
MW200.16 g/mol
LogP-1.82
Rot. Bonds

About azanium;urea;nitrate

azanium;urea;nitrate (PubChem CID 172844548) has the molecular formula C2H12N6O5 and a molecular weight of 200.16 g/mol. Its IUPAC name is azanium;urea;nitrate.

Molecular Properties

Compound Nameazanium;urea;nitrate
PubChem CID172844548
Molecular FormulaC2H12N6O5
Molecular Weight200.16 g/mol
Exact Mass200.09
IUPAC Nameazanium;urea;nitrate
SMILESNC(N)=O.NC(N)=O.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/2CH4N2O.NO3.H3N/c3*2-1(3)4;/h2*(H4,2,3,4);;1H3/q;;-1;/p+1
InChIKeyXFXZTBHCWJZRJB-UHFFFAOYSA-O
XLogP-1.82
TPSA240.92 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;urea;nitrate?
The IUPAC name of azanium;urea;nitrate (CID 172844548) is azanium;urea;nitrate.
What is the SMILES notation for azanium;urea;nitrate?
The canonical SMILES for azanium;urea;nitrate is NC(N)=O.NC(N)=O.O=[N+]([O-])[O-].[NH4+].
What is the InChIKey of azanium;urea;nitrate?
The InChIKey is XFXZTBHCWJZRJB-UHFFFAOYSA-O. The full InChI is InChI=1S/2CH4N2O.NO3.H3N/c3*2-1(3)4;/h2*(H4,2,3,4);;1H3/q;;-1;/p+1.
What are the key properties of azanium;urea;nitrate?
azanium;urea;nitrate has a molecular weight of 200.16 g/mol, XLogP of -1.82, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;urea;nitrate is sourced from PubChem (CID 172844548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).