6-Phenyl-3H-thiopheno[3,2-d]1,2,3-triazin-4-one
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Basic information
- Standard SMILES
O=c1[nH]nnc2cc(-c3ccccc3)sc12- InChIKey
UZSFPZHJEPYLHO-UHFFFAOYSA-N- Molecular formula
- C11H7N3OS
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.03098303
Names & identifiers
- Preferred name
- 6-Phenyl-3H-thiopheno[3,2-d]1,2,3-triazin-4-one
- IUPAC
- 6-phenyl-3H-thieno[3,2-d]triazin-4-one
Names & synonyms
SCHEMBL1845485UZSFPZHJEPYLHO-UHFFFAOYSA-N6-Phenyl-3H-thiopheno[3,2-d]1,2,3-triazin-4-one
Database identifiers
- PubChem CID
- 136145296
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
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Related reactions
1 records
Compound notes
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