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57295-67-7 | Pyridine, 4-[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]-
CAS No: 57295-67-7 Catalog No: AG00IA7K MDL No:MFCD02587750
Product Description
Catalog Number:
AG00IA7K
Chemical Name:
Pyridine, 4-[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]-
CAS Number:
57295-67-7
MDL Number:
MFCD02587750
IUPAC Name:
4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
InChI:
InChI=1S/C9H10N4S/c1-13-8(11-12-9(13)14-2)7-3-5-10-6-4-7/h3-6H,1-2H3
InChI Key:
SLVPRJSDSOWVHT-UHFFFAOYSA-N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.267g/mol
Monoisotopic Mass:
206.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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