2-Benzylsulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

HCID 625007

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

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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