Basic information
- CAS
310444-84-9- Standard SMILES
Cc1c(O)cn2ncnc(Oc3ccccc3)c12- InChIKey
UNSLITXEASVMQB-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Names & identifiers
- Preferred name
- 5-Methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-ol
- IUPAC
- 5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-ol
- English name
- 310444-84-9
- Molecular formula
- C13H11N3O2
- Molecular weight
- 241.25
Names & synonyms
5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-ol310444-84-95-methyl-4-phenoxypyrrolo[2,1-f](1,2,4]triazin-6-olSCHEMBL1227728DTXSID10620551UNSLITXEASVMQB-UHFFFAOYSA-N5-methyl-4-phenoxy-pyrrolo[2,1-f][1,2,4]triazin-6-ol4-phenoxy-5-methyl-6-hydroxypyrrolo-[2,1-f][1,2,4]triazinePyrrolo[2,1-f][1,2,4]triazin-6-ol, 5-methyl-4-phenoxy-
Database identifiers
- CAS
310444-84-9- PubChem CID
- 21945873
- DTXSID
DTXSID10620551
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 4.23 · 4.23±0.53(Predicted)
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Related reactions
18 records
Compound notes
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