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20057-50-5 | 1H-Imidazo[4,5-d]pyridazine-4,7-dione, 3a,5,6,7a-tetrahydro-
CAS No: 20057-50-5 Catalog No: AG002CUW MDL No:
Product Description
Catalog Number:
AG002CUW
Chemical Name:
1H-Imidazo[4,5-d]pyridazine-4,7-dione, 3a,5,6,7a-tetrahydro-
CAS Number:
20057-50-5
Molecular Formula:
C5H6N4O2
Molecular Weight:
154.1267
IUPAC Name:
3a,5,6,7a-tetrahydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
InChI:
InChI=1S/C5H6N4O2/c10-4-2-3(7-1-6-2)5(11)9-8-4/h1-3H,(H,6,7)(H,8,10)(H,9,11)
InChI Key:
BODGSKRVXSPADQ-UHFFFAOYSA-N
SMILES:
O=C1NNC(=O)C2C1N=CN2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.129g/mol
Monoisotopic Mass:
154.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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