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Home > Imidazoles > 86798-59-6
86798-59-6 | 4,5-DIHYDRO-6-(4-(IMIDAZOL-1-YL)PHENYL)-5-METHYL-3(2H)-PYRIDAZINONE
CAS No: 86798-59-6 Catalog No: AG004JHI MDL No:
Product Description
Catalog Number:
AG004JHI
Chemical Name:
4,5-DIHYDRO-6-(4-(IMIDAZOL-1-YL)PHENYL)-5-METHYL-3(2H)-PYRIDAZINONE
CAS Number:
86798-59-6
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C14H14N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-7,9-10H,8H2,1H3,(H,16,19)
InChI Key:
AEZZPAQOEUQNBB-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C(C1)C)c1ccc(cc1)n1cncc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 8-Substituted analogues of 3-(3-cyclopentyloxy-4-methoxy-benzyl)-8-isopropyl-adenine: highly potent and selective PDE4 inhibitors. | Journal of medicinal chemistry 20050224 |
| Cardiotonic agents. 9. Synthesis and biological evaluation of a series of (E)-4,5-dihydro-6-[2-[4-(1H-imidazol-1-yl)phenyl]ethenyl]-3 (2H)-pyridazinones: a novel class of compounds with positive inotropic, antithrombotic, and vasodilatory activities for the treatment of congestive heart failure. | Journal of medicinal chemistry 19890201 |
| Inhibitors of cyclic AMP phosphodiesterase. 2. Structural variations of N-cyclohexyl-N-methyl-4-[(1,2,3,5-tetrahydro- 2-oxoimidazo[2,1-b]quinazolin-7-yl)-oxy]butyramide (RS-82856). | Journal of medicinal chemistry 19870201 |
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