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88259-84-1 | 3(2H)-Pyridazinone, 6-(1-piperidinyl)-
CAS No: 88259-84-1 Catalog No: AG004ABD MDL No:MFCD16652710
Product Description
Catalog Number:
AG004ABD
Chemical Name:
3(2H)-Pyridazinone, 6-(1-piperidinyl)-
CAS Number:
88259-84-1
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD16652710
IUPAC Name:
3-piperidin-1-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C9H13N3O/c13-9-5-4-8(10-11-9)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,11,13)
InChI Key:
XFJRVCBSSKKEQC-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)N1CCCCC1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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