Basic information
- CAS
319491-08-2- Standard SMILES
C(=NNc1nnc2c(n1)[nH]c1ccccc12)c1c[nH]c2ccccc12- InChIKey
LEUUBGIPOWMTLJ-UHFFFAOYSA-N- Molecular formula
- C18H13N7
- Average molar mass
- 327.3 g/mol
Names & identifiers
- Preferred name
- N-(1H-indol-3-ylmethylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
- IUPAC
- N-(1H-indol-3-ylmethylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
- English name
- 1H-indole-3-carbaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone
- Molecular formula
- C18H13N7
- Molecular weight
- 327.34
Names & synonyms
CBMicro_0225631H-indole-3-carbaldehyde 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone
Database identifiers
- CAS
319491-08-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Boiling point
- 680.741 · 680.741±53.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.539 · 1.539±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.306 · 8.306±0.30(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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