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Home > Pyridines > 886208-67-9
886208-67-9 | 4-Pyridazinol, 6-phenyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-
CAS No: 886208-67-9 Catalog No: AG004A5U MDL No:
Product Description
Catalog Number:
AG004A5U
Chemical Name:
4-Pyridazinol, 6-phenyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-
CAS Number:
886208-67-9
Molecular Formula:
C18H18N6O
Molecular Weight:
334.3751
IUPAC Name:
6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyridazin-4-one
InChI:
InChI=1S/C18H18N6O/c25-16-13-15(14-5-2-1-3-6-14)21-22-17(16)23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12H2,(H,21,25)
InChI Key:
ACTXVPPNULCESZ-UHFFFAOYSA-N
SMILES:
Oc1cc(nnc1N1CCN(CC1)c1ncccn1)c1ccccc1
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.383g/mol
Monoisotopic Mass:
334.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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