4-[1,2,3]Triazolo[4,5-b]pyridin-3-yl-benzoic acid
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Basic information
- Standard SMILES
O=C(O)c1ccc(-n2nnc3cccnc32)cc1- InChIKey
HBWLQSXSXWGNEU-UHFFFAOYSA-N- Molecular formula
- C12H8N4O2
- Average molar mass
- 240.22 g/mol
Names & identifiers
- Preferred name
- 4-[1,2,3]Triazolo[4,5-b]pyridin-3-yl-benzoic acid
- IUPAC
- 4-(triazolo[4,5-b]pyridin-3-yl)benzoic acid
Names & synonyms
67482-10-44-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzoic acid4-(triazolo[4,5-b]pyridin-3-yl)benzoic acid4-[1,2,3]triazolo[4,5-b]pyridin-3-yl-benzoic acidstarbld0011714CHEMBL3245699SCHEMBL16177001SCHEMBL31227635HBWLQSXSXWGNEU-UHFFFAOYSA-NAKOS001848608CCG-139755
Database identifiers
- PubChem CID
- 12445488
- ChEMBL
CHEMBL3245699
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
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Related reactions
1 records
Compound notes
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