Home Carboxys 3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS No.:
1221725-50-3
Catalog Number:
AG019W55
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019W55
Chemical Name:
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number:
1221725-50-3
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD14705562
IUPAC Name:
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H11N3O2/c1-5-9-10-7-3-2-6(8(12)13)4-11(5)7/h6H,2-4H2,1H3,(H,12,13)
InChI Key:
BSCMOTNOTCLFAK-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:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties