Basic information
- CAS
55308-57-1- Standard SMILES
c1ccc(-c2nc3n(n2)CCc2ccccc2-3)cc1- InChIKey
JYELTQXYQDVIIM-UHFFFAOYSA-N- Molecular formula
- C16H13N3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.11094742
Names & identifiers
- Preferred name
- s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-
- IUPAC
- 2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
- English name
- 5,6-Dihydro-2-phenyl-s-triazolo[5,1-a]isoquinoline
- Molecular formula
- C16H13N3
- Molecular weight
- 247.29
Names & synonyms
55308-57-12-phenyl-5,6-dihydro[1,2,4]triazolo[5,1-a]isoquinolines-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-2-Phenyl-5,6-dihydro-s-triazolo(5,1-a)isoquinoline(1,2,4)Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-2-phenyl-5,6-dihydro-s-triazolo[5,1-a]isoquinolineL 10499BRN 0617399[1,2,4]Triazolo[5,1-a]isoquinoline, 5,6-dihydro-2-phenyl-5,6-Dihydro-2-phenyl-(1,2,4)triazolo(5,1-a)isoquinoline5,6-Dihydro-2-phenyl-s-triazolo[5,1-a]isoquinolineCHEMBL18156
Show more names
L-10499
4VKU3WD953SCHEMBL114219015,6-Dihydro-2-phenyl[1,2,4]triazolo[5,1-a]isoquinolineDTXSID60203858JYELTQXYQDVIIM-UHFFFAOYSA-NDB-317017
Database identifiers
- CAS
55308-57-1- PubChem CID
- 134397
- DTXSID
DTXSID60203858- ChEMBL
CHEMBL18156- UNII
- 4VKU3WD953
- Nikkaji
- J91.111I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 380.33 °C · 380.33°C (rough estimate)
- Density
- 1.1633 · 1.1633 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
Related reactions
4 records
Compound notes
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