5,7-Dimethyl-2-((2-methylpropyl)thio)(1,2,4)triazolo(1,5-a)pyrimidine

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Basic information

CAS: 51646-20-9
Standard SMILES: Cc1cc(C)n2nc(SCC(C)C)nc2n1
InChIKey: XWDREPGJOBFESM-UHFFFAOYSA-N
Molecular formula: C11H16N4S
Average molar mass: 236.34 g/mol
Monoisotopic mass: 236.1095677

Names & identifiers

Preferred name: 5,7-Dimethyl-2-((2-methylpropyl)thio)(1,2,4)triazolo(1,5-a)pyrimidine
IUPAC: 5,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Names & synonyms

51646-20-95,7-Dimethyl-2-[(2-methylpropyl)thio][1,2,4]triazolo[1,5-a]pyrimidine5,7-Dimethyl-2-((2-methylpropyl)thio)(1,2,4)triazolo(1,5-a)pyrimidineRefChem:2988785,7-dimethyl-2-[(2-methylpropyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidineCHEMBL337734DTXSID201157539HMS5090E10STK7680045,7-dimethyl-2-(2-methylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidineAKOS001729120SR-01000538263

Show more names

SR-01000538263-12-(isobutylthio)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine

Database identifiers

CAS: 51646-20-9
PubChem CID: 706535
DTXSID: DTXSID201157539
ChEMBL: CHEMBL337734

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 68.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 236

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Compound notes

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