2-(3-Ethoxyphenyl)-5h-[1,2,4]triazolo[5,1-a]isoindole
Basic information
- CAS
57312-08-0- Standard SMILES
CCOc1cccc(-c2nc3n(n2)Cc2ccccc2-3)c1- InChIKey
SBCWILTVTKFYRD-UHFFFAOYSA-N- Molecular formula
- C17H15N3O
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.12151211
Names & identifiers
- Preferred name
- 2-(3-Ethoxyphenyl)-5h-[1,2,4]triazolo[5,1-a]isoindole
- IUPAC
- 2-(3-ethoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
- English name
- 2-(3-Ethoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
- Molecular formula
- C17H15N3O
- Molecular weight
- 277.32
Names & synonyms
2-(3-ethoxyphenyl)-5h-[1,2,4]triazolo[5,1-a]isoindole57312-08-02-(3-Ethoxyphenyl)-5H-(1,2,4)triazolo(5,1-a)isoindole5H-(1,2,4)Triazolo(5,1-a)isoindole, 2-(3-ethoxyphenyl)-L 11215BRN 08900375H-[1,2,4]Triazolo[5,1-a]isoindole, 2-(3-ethoxyphenyl)-2-(m-Ethoxyphenyl)-5H-s-triazolo(5,1-a)isoindole5H-s-Triazolo(5,1-a)isoindole, 2-(m-ethoxyphenyl)-DTXSID30972827SBCWILTVTKFYRD-UHFFFAOYSA-N7GG3Y3334H
Show more names
L-11215
DB-3125752-(3-Ethoxyphenyl)-5H-s-triazolo[5,1-a] isoindole
Database identifiers
- CAS
57312-08-0- PubChem CID
- 134451
- DTXSID
DTXSID30972827- UNII
- 7GG3Y3334H
- Nikkaji
- J91.102J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 504.7 · 504.7±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.20(Predicted)
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Related reactions
1 records
Compound notes
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