Basic information
- CAS
18591-71-4- Standard SMILES
O=c1cc(-c2ccccc2)[nH]n2cnnc12- InChIKey
CXZFEQORZDGYOV-UHFFFAOYSA-N- Molecular formula
- C11H8N4O
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.06981089
Names & identifiers
- Preferred name
- 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazin-8-ol
- IUPAC
- 6-phenyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one
Names & synonyms
18591-71-46-phenyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-ol6-Phenyl-1,2,4-triazolo[4,3-b]pyridazin-8-olMFCD021861146-phenyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one6-Phenyl-1,2,4-triazolo(4,3-b)pyridazin-8-olEINECS 242-429-86-phenyl[1,2,4]triazolo[4,3-b]pyridazin-8(5h)-oneOprea1_489736MLS001165637CHEMBL1700921
Show more names
DTXSID60940014CXZFEQORZDGYOV-UHFFFAOYSA-NHMS2854B10HMS5233O09STL432043AKOS000435844AKOS015867658NCGC00246543-01
Database identifiers
- CAS
18591-71-4- PubChem CID
- 87710
- DTXSID
DTXSID60940014- ChEMBL
CHEMBL1700921- EC Number
- 242-429-8
- Nikkaji
- J222.246I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
Solubility25.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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