azanium;urea;acetate

C3H11N3O3 — CID 87930546

IUPACazanium;urea;acetate
SMILESCC(=O)[O-].NC(N)=O.[NH4+]
InChIInChI=1S/C2H4O2.CH4N2O.H3N/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);(H4,2,3,4);1H3
InChIKeyBYWZLXFSPLNBDL-UHFFFAOYSA-N
MW137.14 g/mol
LogP-1.84
Rot. Bonds

About azanium;urea;acetate

azanium;urea;acetate (PubChem CID 87930546) has the molecular formula C3H11N3O3 and a molecular weight of 137.14 g/mol. Its IUPAC name is azanium;urea;acetate.

Molecular Properties

Compound Nameazanium;urea;acetate
PubChem CID87930546
Molecular FormulaC3H11N3O3
Molecular Weight137.14 g/mol
Exact Mass137.08
IUPAC Nameazanium;urea;acetate
SMILESCC(=O)[O-].NC(N)=O.[NH4+]
InChIInChI=1S/C2H4O2.CH4N2O.H3N/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);(H4,2,3,4);1H3
InChIKeyBYWZLXFSPLNBDL-UHFFFAOYSA-N
XLogP-1.84
TPSA145.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azanium;urea;acetate?
The IUPAC name of azanium;urea;acetate (CID 87930546) is azanium;urea;acetate.
What is the SMILES notation for azanium;urea;acetate?
The canonical SMILES for azanium;urea;acetate is CC(=O)[O-].NC(N)=O.[NH4+].
What is the InChIKey of azanium;urea;acetate?
The InChIKey is BYWZLXFSPLNBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH4N2O.H3N/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);(H4,2,3,4);1H3.
What are the key properties of azanium;urea;acetate?
azanium;urea;acetate has a molecular weight of 137.14 g/mol, XLogP of -1.84, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;urea;acetate is sourced from PubChem (CID 87930546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).