Basic information
- Standard SMILES
Cc1nc2nc(SCc3ccccc3)nn2c(C)c1C- InChIKey
ADRZHDXRRHEBNS-UHFFFAOYSA-N- Molecular formula
- C15H16N4S
- Average molar mass
- 284.4 g/mol
Names & identifiers
- Preferred name
- 2-Benzylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 2-benzylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Names & synonyms
2-(benzylsulfanyl)-5,6,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidineMLS001359896SCHEMBL9831745CHEMBL17099602-Benzylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidineSTK760287AKOS001705499SMR001224425ST080971EU-0052155AG-205/37007237SR-01000524366
Show more names
SR-01000524366-12-benzylthio-5,6,7-trimethyl-1,2,4-triazolo[1,5-a]pyrimidine2-(BENZYLSULFANYL)-5,6,7-TRIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE5,6,7-trimethyl-2-(phenylmethylthio)-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 625007
- ChEMBL
CHEMBL1709960
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility31.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
5 records
Compound notes
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