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81305-93-3 | 2-methyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS No: 81305-93-3 Catalog No: AG01E9KM MDL No:MFCD27500919
Product Description
Catalog Number:
AG01E9KM
Chemical Name:
2-methyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS Number:
81305-93-3
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
MDL Number:
MFCD27500919
IUPAC Name:
2-methyl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C6H6N4O/c1-10-3-4-2-7-8-6(11)5(4)9-10/h2-3H,1H3,(H,8,11)
InChI Key:
JWTHLUPHGPIRCC-UHFFFAOYSA-N
SMILES:
Cn1cc2c(n1)c(=O)[nH]nc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.141g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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