Basic information
- CAS
4926-17-4- Standard SMILES
Cc1cccn2c(-c3ccccc3)nnc12- InChIKey
RIJZSLBTKTXESA-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 8-Methyl-3-phenyl[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 8-methyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
4926-17-48-methyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine8-methyl-3-phenyl[1,2,4]triazolo[4,3-a]pyridineNSC73372SCHEMBL9844107DTXSID80291136NSC-73372
Database identifiers
- CAS
4926-17-4- PubChem CID
- 252129
- DTXSID
DTXSID80291136
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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