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133052-00-3 | 4H-Imidazo[4,5-d]pyridazin-4-one, 2-butyl-3,5-dihydro-
CAS No: 133052-00-3 Catalog No: AG0011LH MDL No:
Product Description
Catalog Number:
AG0011LH
Chemical Name:
4H-Imidazo[4,5-d]pyridazin-4-one, 2-butyl-3,5-dihydro-
CAS Number:
133052-00-3
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
IUPAC Name:
2-butyl-3,6-dihydroimidazo[4,5-d]pyridazin-7-one
InChI:
InChI=1S/C9H12N4O/c1-2-3-4-7-11-6-5-10-13-9(14)8(6)12-7/h5H,2-4H2,1H3,(H,11,12)(H,13,14)
InChI Key:
CMRGQRKSRIRJDE-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c([nH]1)c(=O)[nH]nc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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