Basic information
- CAS
4931-20-8- Standard SMILES
Cc1cccn2nc(-c3ccccc3)nc12- InChIKey
UWWCNRMKOGOCNZ-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- 8-Methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
- IUPAC
- 8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
- English name
- 8-Methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyridine
- Molecular formula
- C13H11N3
- Molecular weight
- 209.25
Names & synonyms
8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine4931-20-88-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyridineNSC73367SCHEMBL21041198DTXSID70964206NSC-73367s-Triazolo[1, 8-methyl-2-phenyl-[1,2,4]Triazolo[1,5-a]pyridine, 8-methyl-2-phenyl-
Database identifiers
- CAS
4931-20-8- PubChem CID
- 252124
- DTXSID
DTXSID70964206- Nikkaji
- J101.803E
Properties
Computed structural properties
- XLogP
- 2.8
- 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
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 2.83 · 2.83±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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