Basic information
- Standard SMILES
CC(=O)c1ccc2c(N)ncnn12- InChIKey
GEGNHQIPOMSPJV-UHFFFAOYSA-N- Molecular formula
- C8H8N4O
- Average molar mass
- 176.18 g/mol
- Monoisotopic mass
- 176.06981089
Names & identifiers
- Preferred name
- 1-{4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}ethan-1-one
- IUPAC
- 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanone
Names & synonyms
1-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}ethan-1-one939968-16-81-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanoneSCHEMBL58535GEGNHQIPOMSPJV-UHFFFAOYSA-NDB-180118
Database identifiers
- PubChem CID
- 59232129
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
5 records
Compound notes
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