Home Other Building Blocks 1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one

1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one

CAS No.:
194478-14-3
Catalog Number:
AG019WFI
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019WFI
Chemical Name:
1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
CAS Number:
194478-14-3
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD10003296
IUPAC Name:
1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone
InChI:
InChI=1S/C12H13N3O/c1-8-4-6-11(7-5-8)15-9(2)12(10(3)16)13-14-15/h4-7H,1-3H3
InChI Key:
JZNCZWHUBOFGPJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nnc(c1C)C(=O)C
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Design and synthesis of new 4-pyrazolin-3-yl-1,2,3-triazoles and 1,2,3-triazol-4-yl-pyrazolin-1-ylthiazoles as potential antimicrobial agents. European journal of medicinal chemistry 20120601
Properties