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Home Carboxys 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS No.:
87253-62-1
Catalog Number:
AG008ETW
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$88
- +
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG008ETW
Chemical Name:
5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CAS Number:
87253-62-1
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
MDL Number:
MFCD00462463
IUPAC Name:
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C8H8N4O2/c1-4-3-5(2)12-8(9-4)10-6(11-12)7(13)14/h3H,1-2H3,(H,13,14)
InChI Key:
LIVBNPDDJKFYDF-UHFFFAOYSA-N
SMILES:
Cc1cc(C)n2c(n1)nc(n2)C(=O)O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.178g/mol
Monoisotopic Mass:
192.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties