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Home > Pyridines > 219631-04-6
219631-04-6 | 2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS No: 219631-04-6 Catalog No: AG019ZS9 MDL No:MFCD22375326
Product Description
Catalog Number:
AG019ZS9
Chemical Name:
2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
CAS Number:
219631-04-6
Molecular Formula:
C5H4N4O
Molecular Weight:
136.1115
MDL Number:
MFCD22375326
IUPAC Name:
1,6-dihydropyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C5H4N4O/c10-5-4-3(1-6-8-4)2-7-9-5/h1-2H,(H,6,8)(H,9,10)
InChI Key:
QICFIUZWDPJRQF-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc2c1n[nH]c2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.039g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.114g/mol
Monoisotopic Mass:
136.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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