5-Methylsulfanyl-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Basic information
- CAS
79220-72-7- Standard SMILES
CSc1ncc(C#N)c2nc(-c3ccccc3)nn12- InChIKey
NYALJPYNSOWPKF-UHFFFAOYSA-N- Molecular formula
- C13H9N5S
- Average molar mass
- 267.31 g/mol
- Monoisotopic mass
- 267.05786648
Names & identifiers
- Preferred name
- 5-Methylsulfanyl-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
- IUPAC
- 5-methylsulfanyl-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Names & synonyms
79220-72-7NSC3519805-methylsulfanyl-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrileDTXSID80319945NSC-3519805-(Methylsulfanyl)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Database identifiers
- CAS
79220-72-7- PubChem CID
- 336775
- DTXSID
DTXSID80319945
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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