6-Phenyl-5H-pyrrolo[2,3-b]pyrazine
Basic information
- CAS
78605-10-4- Standard SMILES
c1ccc(-c2cc3nccnc3[nH]2)cc1- InChIKey
ONJMAXYFHBVNTH-UHFFFAOYSA-N- Molecular formula
- C12H9N3
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.0796473
Names & identifiers
- Preferred name
- 6-Phenyl-5H-pyrrolo[2,3-b]pyrazine
- IUPAC
- 6-phenyl-5H-pyrrolo[2,3-b]pyrazine
- English name
- 2-Phenyl-4,7-diazaindole
- Molecular formula
- C12H9N3
- Molecular weight
- 195.22
Names & synonyms
6-Phenyl-5H-pyrrolo[2,3-b]pyrazine78605-10-42-PHENYL-4,7-DIAZAINDOLEMFCD01312547CHEMBL305901NSC-368287NSC3682875H-Pyrrolo[2,3-b]pyrazine, 6-phenyl-T5JSW5LGX8SCHEMBL490933BDBM7341SCHEMBL2760549
Show more names
5H-Pyrrolo[2,3-b]pyrazine,6-phenyl-
SCHEMBL299128556-phenylpyrrolo[2,3-b]pyrazineDTXSID70321037ONJMAXYFHBVNTH-UHFFFAOYSA-NBDBM50474966AKOS006278957FS-32934H-Pyrrolo[2,3-b]pyrazine, 6-phenyl-
Database identifiers
- CAS
78605-10-4- PubChem CID
- 339916
- DTXSID
DTXSID70321037- ChEMBL
CHEMBL305901- UNII
- T5JSW5LGX8
- Nikkaji
- J2.100.262C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 216 °C · 216 °C
- Boiling point
- 364.3 · 364.3±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.73 · 11.73±0.20(Predicted)
- FDA UNII
- 5 JSW5LGX8 · T5JSW5LGX8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
4 records
Compound notes
Loading…