Basic information
- CAS
141078-97-9- Standard SMILES
Cc1ccc(-n2c(COc3ccccc3)nnc2-c2ccncc2)cc1- InChIKey
MAQKZACFIFXJSU-UHFFFAOYSA-N- Molecular formula
- C21H18N4O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.14806121
Names & identifiers
- Preferred name
- Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)-
- IUPAC
- 4-[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pyridine
Names & synonyms
BRN 5451656Pyridine, 4-(4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)-141078-97-94-(4-(4-Methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)pyridineDTXSID201615464-[4-(4-Methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]pyridineRefChem:376824DTXCID3084037
Database identifiers
- CAS
141078-97-9- PubChem CID
- 3072151
- DTXSID
DTXSID20161546
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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