1-benzyl-5-(2-furyl)-1H-tetrazole
Basic information
- CAS
5145-66-4- Standard SMILES
c1ccc(Cn2nnnc2-c2ccco2)cc1- InChIKey
WHVCPILBSDIJJE-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- 1-benzyl-5-(2-furyl)-1H-tetrazole
- IUPAC
- 1-benzyl-5-(furan-2-yl)tetrazole
Names & synonyms
1-benzyl-5-(2-furyl)-1H-tetrazole5145-66-4SMR000069041Enamine_001930Cambridge id 5145664MLS000058776SCHEMBL6357277CHEMBL1368411DTXSID40965780HMS1399H16HMS2401A04CCG-2228
Show more names
AKOS0010192181-benzyl-5-(2-furyl)-1H-tetraazole1-Benzyl-5-(furan-2-yl)-1H-tetrazoleST509973202-[1-benzyl-1,2,3,4-tetraazol-5-yl]furanAF-399/33696012SR-01000401229SR-01000401229-1
Database identifiers
- CAS
5145-66-4- PubChem CID
- 763759
- DTXSID
DTXSID40965780- ChEMBL
CHEMBL1368411
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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