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5-Azauracil

CAS No.:
71-33-0
Catalog Number:
AG0036OC
Molecular Formula:
C3H3N3O2
Molecular Weight:
113.0748
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Product Description
Catalog Number:
AG0036OC
Chemical Name:
5-Azauracil
CAS Number:
71-33-0
Molecular Formula:
C3H3N3O2
Molecular Weight:
113.0748
MDL Number:
MFCD00023157
IUPAC Name:
1H-1,3,5-triazine-2,4-dione
InChI:
InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)
InChI Key:
GEWRKGDRYZIFNP-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c(=O)[nH]1
EC Number:
200-750-0
UNII:
FSO760LQ2L
NSC Number:
56901
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.023g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
113.076g/mol
Monoisotopic Mass:
113.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  
Literature
Title Journal
Dioxo-triazines as a novel series of cathepsin K inhibitors. Bioorganic & medicinal chemistry letters 20100301
Photolytic destruction of endocrine disruptor atrazine in aqueous solution under UV irradiation: products and pathways. Journal of hazardous materials 20091230
Substrate specificity of homogeneous monkeypox virus uracil-DNA glycosylase. Biochemistry 20071023
Acidity constants of cefetamet, cefotaxime and ceftriaxone; the effect of the substituent at C3 position. Journal of pharmaceutical and biomedical analysis 20050915
Quantification of 5-azacytidine in plasma by electrospray tandem mass spectrometry coupled with high-performance liquid chromatography. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20041225
Synthesis and evaluation of pharmacological properties of novel annelated 2,3-benzodiazepine derivatives. Journal of medicinal chemistry 20030814
Parallel solid-phase synthesis of trisubstituted triazinobenzimidazolediones. Journal of combinatorial chemistry 20020101
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. Biochemical pharmacology 19940817
Properties