5-Benzylsulfanyl-3-methylpyrimido[5,4-e][1,2,4]triazine

HCID 296405

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Basic information

CAS: 51934-19-1
Standard SMILES: Cc1nnc2ncnc(SCc3ccccc3)c2n1
InChIKey: HOGHYFOHAZAHPT-UHFFFAOYSA-N
Molecular formula: C13H11N5S
Average molar mass: 269.33 g/mol
Monoisotopic mass: 269.07351655

Names & identifiers

Preferred name: 5-Benzylsulfanyl-3-methylpyrimido[5,4-e][1,2,4]triazine
IUPAC: 5-benzylsulfanyl-3-methylpyrimido[5,4-e][1,2,4]triazine

Names & synonyms

51934-19-15-benzylsulfanyl-3-methylpyrimido[5,4-e][1,2,4]triazineNSC166541DTXSID50304626NSC-1665415-(Benzylsulfanyl)-3-methylpyrimido[5,4-e][1,2,4]triazine

Database identifiers

CAS: 51934-19-1
PubChem CID: 296405
DTXSID: DTXSID50304626

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 89.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 284

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