Basic information
- Standard SMILES
Cc1c(Cl)cccc1-n1nnn(C)c1=O- InChIKey
OVDOCFUCQBSZBO-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4O
- Average molar mass
- 224.65 g/mol
- Monoisotopic mass
- 224.0464886
Names & identifiers
- Preferred name
- 1-(2-Methyl-3-chlorophenyl)-4-methyl-1,4-dihydrotetrazol-5-one
- IUPAC
- 1-(3-chloro-2-methylphenyl)-4-methyltetrazol-5-one
Names & synonyms
SCHEMBL15351674OVDOCFUCQBSZBO-UHFFFAOYSA-N1-(2-methyl-3-chlorophenyl)-4-methyl-1,4-dihydrotetrazol-5-one1-(2-methyl-3-chlorophenyl)-4-methyl-1,4-dihydrotetrazole-5-one
Database identifiers
- PubChem CID
- 89875342
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Related reactions
1 records
Compound notes
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