N-[[4-(dipropylamino)phenyl]methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
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Basic information
- CAS
330446-22-5- Standard SMILES
CCCN(CCC)c1ccc(C=NNc2nnc3c(n2)[nH]c2c(C)cccc23)cc1- InChIKey
HYCIYEJBEWHDHL-UHFFFAOYSA-N- Molecular formula
- C23H27N7
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.23279389
Names & identifiers
- Preferred name
- N-[[4-(dipropylamino)phenyl]methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
- IUPAC
- N-[[4-(dipropylamino)phenyl]methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
- English name
- 4-(dipropylamino)benzaldehyde (6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
- Molecular formula
- C23H27N7
- Molecular weight
- 401.51
Names & synonyms
4-(dipropylamino)benzaldehyde (6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone
Database identifiers
- CAS
330446-22-5- PubChem CID
- 6834644
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 634.323 · 634.323±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.235 · 1.235±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.584 · 8.584±0.30(predicted)
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Compound notes
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