1,4-Dihydro-4-(1H-indol-3-yl)-1,3,5-triazino[1,2-a]benzimidazol-2-amine
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Basic information
- CAS
78650-10-9- Standard SMILES
NC1=NC(c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1- InChIKey
LOLKXGYKPBOFBT-UHFFFAOYSA-N- Molecular formula
- C17H14N6
- Average molar mass
- 302.33 g/mol
- Monoisotopic mass
- 302.12799447
Names & identifiers
- Preferred name
- 1,4-Dihydro-4-(1H-indol-3-yl)-1,3,5-triazino[1,2-a]benzimidazol-2-amine
- IUPAC
- 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
- English name
- 4-(1H-INDOL-3-YL)-3,4-DIHYDRO[1,3,5]TRIAZINO[1,2-A]BENZIMIDAZOL-2-AMINE
- Molecular formula
- C17H14N6
- Molecular weight
- 302.33
Names & synonyms
78650-10-91,4-Dihydro-4-(1H-indol-3-yl)-1,3,5-triazino[1,2-a]benzimidazol-2-amine1,4-Dihydro-4-(1H-indol-3-yl)-1,3,5-triazino(1,2-a)benzimidazol-2-amineRefChem:220540CHEMBL56330364-(1H-indol-3-yl)-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amineLOLKXGYKPBOFBT-UHFFFAOYSA-NDTXSID801151527STK250209STK662119AKOS001284091AKOS002819057
Show more names
TOSLAB 8708671,3,5-Triazino[1,2-a]benzimidazol-2-amine, 1,4-dihydro-4-(1H-indol-3-yl)-
AKOS016158136AKOS016889873[1,3,5]Triazino[1,2-a][1,3]benzimidazol-2-amine, 1,4-dihydro-4-(1H-indol-3-yl)-NCGC00308217-01AB01114710-02Z983293494-(1H-indol-3-yl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine4-(1H-Indol-3-yl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Database identifiers
- CAS
78650-10-9- PubChem CID
- 4874723
- DTXSID
DTXSID801151527- ChEMBL
CHEMBL5633036
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Melting point
- 324 · 324-325 °C
- Boiling point
- 576.2 · 576.2±60.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 16.18 · 16.18±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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