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1105197-25-8 | 4-CYCLOPROPYL-1-(2,4-DIMETHYLPHENYL)-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDA+
CAS No: 1105197-25-8 Catalog No: AG01ARNR MDL No:MFCD11986571
Product Description
Catalog Number:
AG01ARNR
Chemical Name:
4-CYCLOPROPYL-1-(2,4-DIMETHYLPHENYL)-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDA+
CAS Number:
1105197-25-8
Molecular Formula:
C16H16N4O
Molecular Weight:
280.3244
MDL Number:
MFCD11986571
IUPAC Name:
4-cyclopropyl-1-(2,4-dimethylphenyl)-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C16H16N4O/c1-9-3-6-13(10(2)7-9)20-15-12(8-17-20)14(11-4-5-11)18-19-16(15)21/h3,6-8,11H,4-5H2,1-2H3,(H,19,21)
InChI Key:
RIUKRPWSFRBCSH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)n1ncc2c1c(=O)[nH]nc2C1CC1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.331g/mol
Monoisotopic Mass:
280.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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