Home Carboxys 3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

CAS No.:
1215938-81-0
Catalog Number:
AG01DV2T
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
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Product Description
Catalog Number:
AG01DV2T
Chemical Name:
3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CAS Number:
1215938-81-0
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD07376963
IUPAC Name:
3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
InChI:
InChI=1S/C11H13N3O2/c1-7(2)6-9-12-13-10-8(11(15)16)4-3-5-14(9)10/h3-5,7H,6H2,1-2H3,(H,15,16)
InChI Key:
PZHCFDOFCRKALA-UHFFFAOYSA-N
SMILES:
CC(Cc1nnc2n1cccc2C(=O)O)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties