Basic information
- Standard SMILES
CSc1ncc2ccc(-c3cccc(N)c3)n2n1- InChIKey
WCVREZGIGBTCIR-UHFFFAOYSA-N- Molecular formula
- C13H12N4S
- Average molar mass
- 256.33 g/mol
Names & identifiers
- Preferred name
- 3-(2-Methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylamine
- IUPAC
- 3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)aniline
Names & synonyms
SCHEMBL522199WCVREZGIGBTCIR-UHFFFAOYSA-N3-(2-Methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylamine
Database identifiers
- PubChem CID
- 66712682
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
4 records
Compound notes
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