Home Carboxys 3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS No.:
1031619-88-1
Catalog Number:
AG00862C
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG00862C
Chemical Name:
3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number:
1031619-88-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD07376944
IUPAC Name:
3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-5-9-10-7-3-2-6(8(12)13)4-11(5)7/h2-4H,1H3,(H,12,13)
InChI Key:
SHYXTVRNKAUFPL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2n(c1)c(C)nn2
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties