s-Triazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-

HCID 134397

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

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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