9-Bromothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
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Basic information
- Standard SMILES
Brc1csc2ncn3cnnc3c12- InChIKey
IXXDODWGMZFULS-UHFFFAOYSA-N- Molecular formula
- C7H3BrN4S
- Average molar mass
- 255.1 g/mol
- Monoisotopic mass
- 253.92618
Names & identifiers
- Preferred name
- 9-Bromothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
- IUPAC
- 12-bromo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Names & synonyms
9-Bromothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine1239460-85-5SCHEMBL3783573IXXDODWGMZFULS-UHFFFAOYSA-NF30693
Database identifiers
- PubChem CID
- 59636677
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
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Related reactions
2 records
Compound notes
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