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125068-43-1 | 3(2H)-Pyridazinone, 4,5-dihydro-6-[4-[(2-methyl-3-oxo-1-cyclopenten-1-yl)amino]phenyl]-
CAS No: 125068-43-1 Catalog No: AG000N33 MDL No:
Product Description
Catalog Number:
AG000N33
Chemical Name:
3(2H)-Pyridazinone, 4,5-dihydro-6-[4-[(2-methyl-3-oxo-1-cyclopenten-1-yl)amino]phenyl]-
CAS Number:
125068-43-1
Molecular Formula:
C16H17N3O2
Molecular Weight:
283.3251
IUPAC Name:
3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C16H17N3O2/c1-10-13(6-8-15(10)20)17-12-4-2-11(3-5-12)14-7-9-16(21)19-18-14/h2-5,17H,6-9H2,1H3,(H,19,21)
InChI Key:
IPSXUKGVYYVUEM-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1ccc(cc1)NC1=C(C)C(=O)CC1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.331g/mol
Monoisotopic Mass:
283.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Cardiovascular effects of NSP-804 and NSP-805, novel cardiotonic agents with vasodilator properties. | Journal of cardiovascular pharmacology 19930601 |
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