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Home > Pyridines > 1105196-44-8
1105196-44-8 | 1-tert-butyl-4-methyl-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS No: 1105196-44-8 Catalog No: AG01ARV0 MDL No:MFCD11986544
Product Description
Catalog Number:
AG01ARV0
Chemical Name:
1-tert-butyl-4-methyl-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS Number:
1105196-44-8
Molecular Formula:
C10H14N4O
Molecular Weight:
206.2444
MDL Number:
MFCD11986544
IUPAC Name:
1-tert-butyl-4-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C10H14N4O/c1-6-7-5-11-14(10(2,3)4)8(7)9(15)13-12-6/h5H,1-4H3,(H,13,15)
InChI Key:
BZFQZARONURLLI-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1n(nc2)C(C)(C)C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.117g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.249g/mol
Monoisotopic Mass:
206.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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