urea;hydrobromide

CH5BrN2O — CID 53411231

IUPACurea;hydrobromide
SMILESBr.NC(N)=O
InChIInChI=1S/CH4N2O.BrH/c2-1(3)4;/h(H4,2,3,4);1H
InChIKeyDXXBBUOVGDAFFJ-UHFFFAOYSA-N
MW140.97 g/mol
LogP-0.40
Rot. Bonds

About urea;hydrobromide

urea;hydrobromide (PubChem CID 53411231) has the molecular formula CH5BrN2O and a molecular weight of 140.97 g/mol. Its IUPAC name is urea;hydrobromide.

Molecular Properties

Compound Nameurea;hydrobromide
PubChem CID53411231
Molecular FormulaCH5BrN2O
Molecular Weight140.97 g/mol
Exact Mass139.96
IUPAC Nameurea;hydrobromide
SMILESBr.NC(N)=O
InChIInChI=1S/CH4N2O.BrH/c2-1(3)4;/h(H4,2,3,4);1H
InChIKeyDXXBBUOVGDAFFJ-UHFFFAOYSA-N
XLogP-0.40
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.97
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze urea;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of urea;hydrobromide?
The IUPAC name of urea;hydrobromide (CID 53411231) is urea;hydrobromide.
What is the SMILES notation for urea;hydrobromide?
The canonical SMILES for urea;hydrobromide is Br.NC(N)=O.
What is the InChIKey of urea;hydrobromide?
The InChIKey is DXXBBUOVGDAFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.BrH/c2-1(3)4;/h(H4,2,3,4);1H.
What are the key properties of urea;hydrobromide?
urea;hydrobromide has a molecular weight of 140.97 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for urea;hydrobromide is sourced from PubChem (CID 53411231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).