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Home > Pyridines > 1105196-58-4
1105196-58-4 | 1-(3,4-DIMETHYLPHENYL)-4-ISOPROPYL-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDAZI+
CAS No: 1105196-58-4 Catalog No: AG01ARWQ MDL No:MFCD11986549
Product Description
Catalog Number:
AG01ARWQ
Chemical Name:
1-(3,4-DIMETHYLPHENYL)-4-ISOPROPYL-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDAZI+
CAS Number:
1105196-58-4
Molecular Formula:
C16H18N4O
Molecular Weight:
282.3403
MDL Number:
MFCD11986549
IUPAC Name:
1-(3,4-dimethylphenyl)-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C16H18N4O/c1-9(2)14-13-8-17-20(15(13)16(21)19-18-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H,19,21)
InChI Key:
OQUNCXOMIXTCAY-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(=O)c2c1cnn2c1ccc(c(c1)C)C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.347g/mol
Monoisotopic Mass:
282.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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