4-bromobenzaldehyde (5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
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Basic information
- CAS
320583-47-9- Standard SMILES
CCn1c2ccccc2c2nnc(N/N=C/c3ccc(Br)cc3)nc21- InChIKey
ZZLPKHLSAJTZDM-RGVLZGJSSA-N- Molecular formula
- C18H15BrN6
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.05416
Names & identifiers
- Preferred name
- 4-bromobenzaldehyde (5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
- IUPAC
- N-[(E)-(4-bromophenyl)methylideneamino]-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
- English name
- 4-bromobenzaldehyde (5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
- Molecular formula
- C18H15BrN6
- Molecular weight
- 395.2559
Names & synonyms
320583-47-94-bromobenzaldehyde (5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazoneN-[(E)-(4-bromophenyl)methylideneamino]-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amineSTK825507AKOS000559164ST50264540AG-690/40106980(E)-3-(2-(4-bromobenzylidene)hydrazinyl)-5-ethyl-5H-[1,2,4]triazino[5,6-b]indole[(1E)-2-(4-bromophenyl)-1-azavinyl](5-ethyl(1,2,4-triazino[5,6-b]indol-3-yl))a mine3-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-5-ethyl-5H-[1,2,4]triazino[5,6-b]indoleBenzaldehyde, 4-bromo-, 2-(5-ethyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)hydrazone
Database identifiers
- CAS
320583-47-9- PubChem CID
- 9585599
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Boiling point
- 522 · 522.0±60.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 7.83 · 7.83±0.70(Predicted)
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Compound notes
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