5-Methoxytetrazole
Basic information
- CAS
5376-15-8- Standard SMILES
COc1nn[nH]n1- InChIKey
ZWFJRXDXXCBOAC-UHFFFAOYSA-N- Molecular formula
- C2H4N4O
- Average molar mass
- 100.08 g/mol
- Monoisotopic mass
- 100.03851076
Names & identifiers
- Preferred name
- 5-Methoxytetrazole
- IUPAC
- 5-methoxy-2H-tetrazole
- English name
- 5-Methoxytetrazole
- Molecular formula
- C2H4N4O
- Molecular weight
- 100.08
Names & synonyms
5-Methoxytetrazole5376-15-85-methoxy-2H-tetrazole5-Methoxy-tetrazolSCHEMBL587838SCHEMBL1680286SCHEMBL12060841SCHEMBL25406603DTXSID702020342H-Tetrazole, 5-methoxy-
Database identifiers
- CAS
5376-15-8- PubChem CID
- 138474
- DTXSID
DTXSID70202034- Nikkaji
- J660.969D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.7
Chemistry & industry
Upstream & downstream products
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Compound notes
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