4,9,10-Triphenylpyridazino(3',4':3,4)pyrazolo(5,1-c)(1,2,4)triazine
Basic information
- CAS
79441-92-2- Standard SMILES
c1ccc(-c2nnc3nn4c(-c5ccccc5)cnnc4c3c2-c2ccccc2)cc1- InChIKey
KJPUGCZAQOOLMU-UHFFFAOYSA-N- Molecular formula
- C25H16N6
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.14364454
Names & identifiers
- Preferred name
- 4,9,10-Triphenylpyridazino(3',4':3,4)pyrazolo(5,1-c)(1,2,4)triazine
- IUPAC
- 6,12,13-triphenyl-3,4,7,8,10,11-hexazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
Names & synonyms
79441-92-29N2BLV59GJ4,9,10-Triphenylpyridazino(3',4':3,4)pyrazolo(5,1-c)(1,2,4)triazineNSC355170UNII-9N2BLV59GJNSC 3551704,9,10-Triphenylpyridazino[3',4':3,4]pyrazolo[5,1-c][1,2,4]triazineNSC-355170CHEMBL183337DTXSID20229655NCI60_0031994,9,10-triphenylpyridazino[[?]:[?]]pyrazolo[[?]][1,2,4]triazine
Show more names
PYRIDAZINO(3',4':3,4)PYRAZOLO(5,1-C)(1,2,4)TRIAZINE, 4,9,10-TRIPHENYL-
Database identifiers
- CAS
79441-92-2- PubChem CID
- 337393
- DTXSID
DTXSID20229655- ChEMBL
CHEMBL183337- UNII
- 9N2BLV59GJ
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
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Compound notes
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