Basic information
- CAS
651744-23-9- Standard SMILES
CSc1ncnn2cc(O)c(C)c12- InChIKey
PUMQMDZBVRBGHS-UHFFFAOYSA-N- Molecular formula
- C8H9N3OS
- Average molar mass
- 195.24 g/mol
- Monoisotopic mass
- 195.04663291
Names & identifiers
- Preferred name
- 5-Methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-6-ol
- IUPAC
- 5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-6-ol
Names & synonyms
5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-6-ol651744-23-9SCHEMBL1683400DTXSID00624169PUMQMDZBVRBGHS-UHFFFAOYSA-N5-Methyl-4-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazin-6-ol
Database identifiers
- CAS
651744-23-9- PubChem CID
- 22273627
- DTXSID
DTXSID00624169
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Related reactions
4 records
Compound notes
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