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Basic information
- CAS
939968-15-7- Standard SMILES
CC(=O)c1cc(Br)c2c(N)ncnn12- InChIKey
OTZMCWUBEBSSHI-UHFFFAOYSA-N- Molecular formula
- C8H7BrN4O
- Average molar mass
- 255.07 g/mol
- Monoisotopic mass
- 253.98032294
Names & identifiers
- Preferred name
- 1-(4-Amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
- IUPAC
- 1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
Names & synonyms
939968-15-71-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone1-(4-Amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethan-1-one1-{4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl}ethan-1-onestarbld0047416SCHEMBL60090OTZMCWUBEBSSHI-UHFFFAOYSA-NDTXSID701185812DB-180110
Database identifiers
- CAS
939968-15-7- PubChem CID
- 59232000
- DTXSID
DTXSID701185812
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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