Home Halogens 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydropyridazin-3-one

4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydropyridazin-3-one

CAS No.:
78403-59-5
Catalog Number:
AG01ACBG
Molecular Formula:
C10H8Cl2N4O
Molecular Weight:
271.1027
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Product Description
Catalog Number:
AG01ACBG
Chemical Name:
4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydropyridazin-3-one
CAS Number:
78403-59-5
Molecular Formula:
C10H8Cl2N4O
Molecular Weight:
271.1027
MDL Number:
MFCD03152817
IUPAC Name:
4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one
InChI:
InChI=1S/C10H8Cl2N4O/c1-5-3-6(2)15-10(14-5)16-9(17)8(12)7(11)4-13-16/h3-4H,1-2H3
InChI Key:
SPGYQDHYLWCELS-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)n1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.008g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.101g/mol
Monoisotopic Mass:
270.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties