N,N-dimethyl-1-(2-(3-((methylsulfonyl)methyl)phenyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-6-yl)methanamine
Basic information
- Standard SMILES
CN(C)Cc1cc2c(N3CCOCC3)nc(-c3cccc(CS(C)(=O)=O)c3)nn2c1- InChIKey
ZIXLLEWUWZSEKV-UHFFFAOYSA-N- Molecular formula
- C21H27N5O3S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.18346091
Names & identifiers
- Preferred name
- N,N-dimethyl-1-(2-(3-((methylsulfonyl)methyl)phenyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-6-yl)methanamine
- IUPAC
- N,N-dimethyl-1-[2-[3-(methylsulfonylmethyl)phenyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanamine
Names & synonyms
SCHEMBL16611854ZIXLLEWUWZSEKV-UHFFFAOYSA-NN,N-dimethyl-1-(2-(3-((methylsulfonyl)methyl)phenyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-6-yl)methanamine
Database identifiers
- PubChem CID
- 72201093
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 664
Related reactions
1 records
Compound notes
Loading…