Basic information
- Standard SMILES
Nc1ncnn2cc(C#CCN3CCCC3)cc12- InChIKey
VTQWQBRTSFYQHD-UHFFFAOYSA-N- Molecular formula
- C13H15N5
- Average molar mass
- 241.29 g/mol
Names & identifiers
- Preferred name
- 6-(3-(Pyrrolidin-1-yl)prop-1-ynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
- IUPAC
- 6-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
Names & synonyms
SCHEMBL12100656VTQWQBRTSFYQHD-UHFFFAOYSA-N6-(3-(pyrrolidin-1-yl)prop-1-ynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
Database identifiers
- PubChem CID
- 70665201
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
1 records
Compound notes
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