3-Tetrazol-1-yl-quinoline
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Basic information
- CAS
111359-80-9- Standard SMILES
c1ccc2ncc(-n3cnnn3)cc2c1- InChIKey
SECOUIRYEHHHFS-UHFFFAOYSA-N- Molecular formula
- C10H7N5
- Average molar mass
- 197.2 g/mol
- Monoisotopic mass
- 197.07014524
Names & identifiers
- Preferred name
- 3-Tetrazol-1-yl-quinoline
- IUPAC
- 3-(tetrazol-1-yl)quinoline
- English name
- 3-(Tetrazol-1-yl)-quinoline
- Molecular formula
- C10H7N5
- Molecular weight
- 197.2
Names & synonyms
3-Tetrazol-1-yl-quinoline111359-80-9DTXSID70344584RefChem:282703DTXCID80295659SECOUIRYEHHHFS-UHFFFAOYSA-N3-(tetrazol-1-yl)quinoline3-(1H-tetrazol-1-yl)quinolineIsoquinoline,3-(2H-tetrazol-5-yl)-3-(Tetrazol-1-yl)-quinoline337488-43-4MLS000027077
Show more names
Isoquinoline, 3-(2H-tetrazol-5-yl)-
SCHEMBL5089483CHEMBL18765703-(1H-Tetraazol-1-yl)quinolineHMS2407P123-(1H-Tetraazol-1-yl)quinoline #STK764183AKOS000573838SDCCGSBI-0658340.P001
Database identifiers
- CAS
111359-80-9- PubChem CID
- 598097
- DTXSID
DTXSID70344584- ChEMBL
CHEMBL1876570
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 244 · 244-245 °C
- Boiling point
- 477 · 477.0±37.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 5.88 · 5.88±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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