Basic information
- CAS
5528-56-3- Standard SMILES
Cc1cc(C)n2c(-c3ccccc3)nnc2c1- InChIKey
UOSCCKDAUBVDMB-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094743
Names & identifiers
- Preferred name
- 5,7-Dimethyl-3-phenyl[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 5,7-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
5528-56-35,7-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine5,7-dimethyl-3-phenyl[1,2,4]triazolo[4,3-a]pyridineNSC79013DTXSID10291907NSC-79013
Database identifiers
- CAS
5528-56-3- PubChem CID
- 254580
- DTXSID
DTXSID10291907
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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