azanium;urea;nitrate

CH8N4O4 — CID 10130003

IUPACazanium;urea;nitrate
SMILESNC(N)=O.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/CH4N2O.NO3.H3N/c2*2-1(3)4;/h(H4,2,3,4);;1H3/q;-1;/p+1
InChIKeyCSGLCWIAEFNDIL-UHFFFAOYSA-O
MW140.10 g/mol
LogP-0.84
Rot. Bonds

About azanium;urea;nitrate

azanium;urea;nitrate (PubChem CID 10130003) has the molecular formula CH8N4O4 and a molecular weight of 140.10 g/mol. Its IUPAC name is azanium;urea;nitrate.

Molecular Properties

Compound Nameazanium;urea;nitrate
PubChem CID10130003
Molecular FormulaCH8N4O4
Molecular Weight140.10 g/mol
Exact Mass140.05
IUPAC Nameazanium;urea;nitrate
SMILESNC(N)=O.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/CH4N2O.NO3.H3N/c2*2-1(3)4;/h(H4,2,3,4);;1H3/q;-1;/p+1
InChIKeyCSGLCWIAEFNDIL-UHFFFAOYSA-O
XLogP-0.84
TPSA171.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of azanium;urea;nitrate?
The IUPAC name of azanium;urea;nitrate (CID 10130003) is azanium;urea;nitrate.
What is the SMILES notation for azanium;urea;nitrate?
The canonical SMILES for azanium;urea;nitrate is NC(N)=O.O=[N+]([O-])[O-].[NH4+].
What is the InChIKey of azanium;urea;nitrate?
The InChIKey is CSGLCWIAEFNDIL-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4N2O.NO3.H3N/c2*2-1(3)4;/h(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 140.10 g/mol, XLogP of -0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;urea;nitrate is sourced from PubChem (CID 10130003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).