Basic information
- CAS
785048-93-3- Standard SMILES
Nc1nc(Br)cn2nc(-c3ccco3)nc12- InChIKey
GSAUEIBYHJCVIR-UHFFFAOYSA-N- Molecular formula
- C9H6BrN5O
- Average molar mass
- 280.08 g/mol
- Monoisotopic mass
- 278.97557191
Names & identifiers
- Preferred name
- [1,2,4]Triazolo[1,5-a]pyrazin-8-amine, 6-bromo-2-(2-furanyl)-
- IUPAC
- 6-bromo-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
- English name
- [1,2,4]Triazolo[1,5-a]pyrazin-8-amine, 6-bromo-2-(2-furanyl)-
- Molecular formula
- C9H6BrN5O
- Molecular weight
- 280.08
Names & synonyms
785048-93-3[1,2,4]Triazolo[1,5-a]pyrazin-8-amine, 6-bromo-2-(2-furanyl)-6-BROMO-2-(FURAN-2-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-8-AMINE6-Bromo-2-(2-furanyl)[1,2,4]triazolo[1,5-a]pyrazin-8-amineSCHEMBL3186700DTXSID40822662GSAUEIBYHJCVIR-UHFFFAOYSA-N6-bromo-2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrazin-8-ylamineDB-3179936-Bromo-2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrazin-8-amine6-Bromo-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
Database identifiers
- CAS
785048-93-3- PubChem CID
- 71401630
- DTXSID
DTXSID40822662
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Density
- 2.1 · 2.10±0.1 g/cm3(Predicted)
- pka
- -0.25 · -0.25±0.30(Predicted)
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
济南药研药物化学有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Related reactions
12 records
Compound notes
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