5-Methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Basic information
- CAS
79220-58-9- Standard SMILES
CSC1=NC=C(C#N)C2=NC(c3ccccc3)NN12- InChIKey
AUBPLERNDSREIM-UHFFFAOYSA-N- Molecular formula
- C13H11N5S
- Average molar mass
- 269.33 g/mol
- Monoisotopic mass
- 269.07351655
Names & identifiers
- Preferred name
- 5-Methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
- IUPAC
- 5-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Names & synonyms
79220-58-9NSC3519795-methylsulfanyl-2-phenyl-2,3-dihydro-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrileDTXSID20319944NSC-3519795-(Methylsulfanyl)-2-phenyl-2,3-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
Database identifiers
- CAS
79220-58-9- PubChem CID
- 336774
- DTXSID
DTXSID20319944
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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