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Basic information
- Standard SMILES
CCCn1nnnc1NC(=O)c1cccc(Br)c1- InChIKey
MYQLFOVOKFLDJP-UHFFFAOYSA-N- Molecular formula
- C11H12BrN5O
- Average molar mass
- 310.15 g/mol
Names & identifiers
- Preferred name
- 3-bromo-N-(1-propyl-1H-tetrazol-5-yl)benzamide
- IUPAC
- 3-bromo-N-(1-propyltetrazol-5-yl)benzamide
Names & synonyms
3-bromo-N-(1-propyl-1H-tetrazol-5-yl)benzamideOprea1_852789SCHEMBL15326621MYQLFOVOKFLDJP-UHFFFAOYSA-NSTL388212AKOS002342101ST51028636(3-bromophenyl)-N-(1-propyl(1,2,3,4-tetraazol-5-yl))carboxamide
Database identifiers
- PubChem CID
- 960209
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
1 records
Compound notes
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