1-(5-Isopropyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-propan-2-ol
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Basic information
- Standard SMILES
CSc1ncnn2cc(OCC(C)O)c(C(C)C)c12- InChIKey
RQLBYBSARWTQFB-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2S
- Average molar mass
- 281.38 g/mol
Names & identifiers
- Preferred name
- 1-(5-Isopropyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-propan-2-ol
- IUPAC
- 1-(4-methylsulfanyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl)oxypropan-2-ol
Names & synonyms
SCHEMBL1683458RQLBYBSARWTQFB-UHFFFAOYSA-N1-(5-Isopropyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-propan-2-ol
Database identifiers
- PubChem CID
- 22273626
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
1 records
Compound notes
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