Home Carboxys 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS No.:
933704-40-6
Catalog Number:
AG01BEFL
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
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Product Description
Catalog Number:
AG01BEFL
Chemical Name:
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS Number:
933704-40-6
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
MDL Number:
MFCD26106600
IUPAC Name:
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H8N4O2/c1-4-6(7(13)14)5(2)12-8(11-4)9-3-10-12/h3H,1-2H3,(H,13,14)
InChI Key:
FOBCJXXCKAGLEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nc2n(c1C)ncn2
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:
0.4  
Properties