2-[2-Cinnamyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine
Basic information
- CAS
908824-80-6- Standard SMILES
COc1cccc(-c2nc(-c3cnccn3)n(CC=Cc3ccccc3)n2)c1- InChIKey
VZUSDZMVJPHHHA-UHFFFAOYSA-N- Molecular formula
- C22H19N5O
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15896025
Names & identifiers
- Preferred name
- 2-[2-Cinnamyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine
- IUPAC
- 2-[5-(3-methoxyphenyl)-2-(3-phenylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
Names & synonyms
NSC656345908824-80-6DTXSID103274372-[2-cinnamyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine2-[3-(3-methoxyphenyl)-1-(3-phenylprop-2-en-1-yl)-1H-1,2,4-triazol-5-yl]pyrazineNCI60_0194992-(1-Cinnamyl-3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl)pyrazine3-(1-Cinnamyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-3-yl)phenyl methyl ether
Database identifiers
- CAS
908824-80-6- PubChem CID
- 375979
- DTXSID
DTXSID10327437
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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