Basic information
- Standard SMILES
CCSc1ccc(OC(C)c2ccnc3ncnn23)cc1- InChIKey
JCGNIAAPBYXVEH-UHFFFAOYSA-N- Molecular formula
- C15H16N4OS
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.10448232
Names & identifiers
- Preferred name
- 7-{1-[4-(Ethylthio)phenoxy]ethyl}-1,2,4-triazolo[1,5-a]pyrimidine
- IUPAC
- 7-[1-(4-ethylsulfanylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Names & synonyms
SCHEMBL7555449JCGNIAAPBYXVEH-UHFFFAOYSA-N7-{1-[4-(ethylthio)phenoxy]ethyl}-1,2,4-triazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 9796359
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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