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

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

CAS No.:
1260385-82-7
Catalog Number:
AG01A43U
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
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Product Description
Catalog Number:
AG01A43U
Chemical Name:
3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid
CAS Number:
1260385-82-7
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
MDL Number:
MFCD18381169
IUPAC Name:
2H-triazolo[4,5-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C6H4N4O2/c11-6(12)3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,11,12)(H,7,8,9,10)
InChI Key:
IJBVKVNHXPWGMO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2nn[nH]c2nc1
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties