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Home > Imidazoles > 140199-54-8
140199-54-8 | 1H-Imidazo[4,5-d]pyridazine-4,7-dione, 2-butyl-5,6-dihydro-
CAS No: 140199-54-8 Catalog No: AG007ZWY MDL No:
Product Description
Catalog Number:
AG007ZWY
Chemical Name:
1H-Imidazo[4,5-d]pyridazine-4,7-dione, 2-butyl-5,6-dihydro-
CAS Number:
140199-54-8
Molecular Formula:
C9H12N4O2
Molecular Weight:
208.2172
IUPAC Name:
2-butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
InChI:
InChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15)
InChI Key:
DQHJYYALMHIEAH-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c([nH]1)c(=O)[nH][nH]c2=O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.221g/mol
Monoisotopic Mass:
208.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis. | Journal of medicinal chemistry 20030327 |
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