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145121-27-3 | 3-Pyridazinecarboxylic acid, 5-cyano-1,6-dihydro-4-methyl-6-oxo-1-phenyl-, hydrazide
CAS No: 145121-27-3 Catalog No: AG001KKP MDL No:MFCD00829167
Product Description
Catalog Number:
AG001KKP
Chemical Name:
3-Pyridazinecarboxylic acid, 5-cyano-1,6-dihydro-4-methyl-6-oxo-1-phenyl-, hydrazide
CAS Number:
145121-27-3
Molecular Formula:
C13H11N5O2
Molecular Weight:
269.2587
MDL Number:
MFCD00829167
IUPAC Name:
5-cyano-4-methyl-6-oxo-1-phenylpyridazine-3-carbohydrazide
InChI:
InChI=1S/C13H11N5O2/c1-8-10(7-14)13(20)18(9-5-3-2-4-6-9)17-11(8)12(19)16-15/h2-6H,15H2,1H3,(H,16,19)
InChI Key:
BPZXGKPFCACNIJ-UHFFFAOYSA-N
SMILES:
NNC(=O)c1nn(c2ccccc2)c(=O)c(c1C)C#N
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.264g/mol
Monoisotopic Mass:
269.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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