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129663-22-5 | Isoxazolo[4,5-d]pyridazin-4(5H)-one, 3,7-dimethyl-
CAS No: 129663-22-5 Catalog No: AG000Z9W MDL No:MFCD00097940
Product Description
Catalog Number:
AG000Z9W
Chemical Name:
Isoxazolo[4,5-d]pyridazin-4(5H)-one, 3,7-dimethyl-
CAS Number:
129663-22-5
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD00097940
IUPAC Name:
3,7-dimethyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
InChI:
InChI=1S/C7H7N3O2/c1-3-5-6(12-10-3)4(2)8-9-7(5)11/h1-2H3,(H,9,11)
InChI Key:
ZWYHMXZXRRWIKC-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(=O)c2c1onc2C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of some novel urea and thiourea derivatives of isoxazolo[4,5-d]pyridazine and structurally related thiazolo[4,5-d]pyridazine as antimicrobial agents. | Archives of pharmacal research 20131101 |
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