4-p-Tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
Basic information
- CAS
1133065-52-7- Standard SMILES
Cc1ccc(C2=NCCn3c2c2ccccc2[n+]3[O-])cc1- InChIKey
BYCKTLNQPSADHZ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.12151211
Names & identifiers
- Preferred name
- 4-p-Tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
- IUPAC
- 1-(4-methylphenyl)-6-oxido-3,4-dihydropyrazino[1,2-b]indazol-6-ium
Names & synonyms
MLS001101525CHEMBL1476094HMS2220G17HMS3332E16SMR0012167164-p-Tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
Database identifiers
- CAS
1133065-52-7- PubChem CID
- 24979620
- DTXSID
DTXSID201167116- ChEMBL
CHEMBL1476094- Nikkaji
- J2.727.501J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
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Related reactions
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Compound notes
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