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Home > Pyridines > 146950-62-1
146950-62-1 | Pyrido[3,4-b]pyrazine-2,3-dione, 1,4-dihydro-1-methyl-
CAS No: 146950-62-1 Catalog No: AG001EGM MDL No:
Product Description
Catalog Number:
AG001EGM
Chemical Name:
Pyrido[3,4-b]pyrazine-2,3-dione, 1,4-dihydro-1-methyl-
CAS Number:
146950-62-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
1-methyl-4H-pyrido[3,4-b]pyrazine-2,3-dione
InChI:
InChI=1S/C8H7N3O2/c1-11-6-2-3-9-4-5(6)10-7(12)8(11)13/h2-4H,1H3,(H,10,12)
InChI Key:
LHMAUSLHAYCGOP-UHFFFAOYSA-N
SMILES:
O=c1c(=O)[nH]c2c(n1C)ccnc2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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