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Home > Pyridines > 1105196-61-9
1105196-61-9 | 1-(2,4-DIMETHYLPHENYL)-4-METHYL-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDAZIN-7+
CAS No: 1105196-61-9 Catalog No: AG01ARWS MDL No:MFCD11986551
Product Description
Catalog Number:
AG01ARWS
Chemical Name:
1-(2,4-DIMETHYLPHENYL)-4-METHYL-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDAZIN-7+
CAS Number:
1105196-61-9
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
MDL Number:
MFCD11986551
IUPAC Name:
1-(2,4-dimethylphenyl)-4-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C14H14N4O/c1-8-4-5-12(9(2)6-8)18-13-11(7-15-18)10(3)16-17-14(13)19/h4-7H,1-3H3,(H,17,19)
InChI Key:
FBKBWQSLXAFXRS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)n1ncc2c1c(=O)[nH]nc2C
Properties
Complexity:
408
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:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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