Home Carboxys 3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid

3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid

CAS No.:
1256643-58-9
Catalog Number:
AG009DX5
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
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Product Description
Catalog Number:
AG009DX5
Chemical Name:
3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid
CAS Number:
1256643-58-9
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD18381892
IUPAC Name:
3-methyltriazolo[4,5-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C7H6N4O2/c1-11-6-5(9-10-11)2-4(3-8-6)7(12)13/h2-3H,1H3,(H,12,13)
InChI Key:
QDFVDLJZCYHXHE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)nnn2C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties