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85333-59-1 | 3(2H)-Pyridazinone, 4,5-dihydro-6-[4-(1H-imidazol-1-ylmethyl)phenyl]-
CAS No: 85333-59-1 Catalog No: AG004P7Z MDL No:
Product Description
Catalog Number:
AG004P7Z
Chemical Name:
3(2H)-Pyridazinone, 4,5-dihydro-6-[4-(1H-imidazol-1-ylmethyl)phenyl]-
CAS Number:
85333-59-1
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
3-[4-(imidazol-1-ylmethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C14H14N4O/c19-14-6-5-13(16-17-14)12-3-1-11(2-4-12)9-18-8-7-15-10-18/h1-4,7-8,10H,5-6,9H2,(H,17,19)
InChI Key:
RJMQFLSYEMLGFB-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1ccc(cc1)Cn1cncc1
Properties
Complexity:
361
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:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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