4-Chloro-2-(methylsulfanyl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine

HCID 20249888

Notes Reactions

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Basic information

Standard SMILES: CSc1nc(Cl)n2nc(-c3ccccc3)cc2n1
InChIKey: DQDGYRAGPABSIT-UHFFFAOYSA-N
Molecular formula: C12H9ClN4S
Average molar mass: 276.75 g/mol

Names & identifiers

Preferred name: 4-Chloro-2-(methylsulfanyl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
IUPAC: 4-chloro-2-methylsulfanyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine

Names & synonyms

SCHEMBL5449490DQDGYRAGPABSIT-UHFFFAOYSA-N4-chloro-2-methylthio-7-phenylpyrazolo[1,5-a]-1,3,5-triazine4-Chloro-2-(methylsulfanyl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine

Database identifiers

PubChem CID: 20249888

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 68.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 287

Related reactions

4 records

New reaction record

HRID 833730As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 939271As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1285121As reactantuspto-grants-1986_01

HRID 1296717As reactantuspto-grants-2007_07

Compound notes

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