3,4-Diphenylpyrazolo[5,1-c][1,2,4]triazine
Basic information
- CAS
6726-61-0- Standard SMILES
c1ccc(-c2nnc3ccnn3c2-c2ccccc2)cc1- InChIKey
OJWQJNKDFIDAII-UHFFFAOYSA-N- Molecular formula
- C17H12N4
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.1061964
Names & identifiers
- Preferred name
- 3,4-Diphenylpyrazolo[5,1-c][1,2,4]triazine
- IUPAC
- 3,4-diphenylpyrazolo[5,1-c][1,2,4]triazine
- English name
- 3,4-Diphenylpyrazolo[5,1-c][1,2,4]triazine
- Molecular formula
- C17H12N4
- Molecular weight
- 272.3
Names & synonyms
3,4-Diphenylpyrazolo[5,1-c][1,2,4]triazinePyrazolo[5,1-c]-as-triazine, 3,4-diphenyl-Pyrazolo[5,1-c][1,2,4]triazine, 3,4-diphenyl-DTXSID40347587OJWQJNKDFIDAII-UHFFFAOYSA-N6726-61-03,4-Diphenylpyrazolo[5,1-c][1,2,4]triazine #
Database identifiers
- CAS
6726-61-0- PubChem CID
- 623349
- DTXSID
DTXSID40347587- Nikkaji
- J112.508G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 193 · 193-194 °C
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- -1.04 · -1.04±0.40(Predicted)
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Related reactions
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Compound notes
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