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

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

CAS No.:
1536259-68-3
Catalog Number:
AG01C1YJ
Molecular Formula:
C14H15N3O2
Molecular Weight:
257.2878
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Product Description
Catalog Number:
AG01C1YJ
Chemical Name:
3-(3-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number:
1536259-68-3
Molecular Formula:
C14H15N3O2
Molecular Weight:
257.2878
MDL Number:
MFCD25129182
IUPAC Name:
3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C14H15N3O2/c1-9-3-2-4-10(7-9)13-16-15-12-6-5-11(14(18)19)8-17(12)13/h2-4,7,11H,5-6,8H2,1H3,(H,18,19)
InChI Key:
OQJFKHOIEIDQHQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2n(C1)c(nn2)c1cccc(c1)C
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.116g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.293g/mol
Monoisotopic Mass:
257.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties