Basic information
- Standard SMILES
CCCCc1c(C(=O)O)nnn1-c1ccc(C(=O)NCC)cc1- InChIKey
WZYPSRCFDALOMH-UHFFFAOYSA-N- Molecular formula
- C16H20N4O3
- Average molar mass
- 316.35 g/mol
- Monoisotopic mass
- 316.15354051
Names & identifiers
- Preferred name
- 5-butyl-1-{4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 5-butyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxylic acid
Names & synonyms
SCHEMBL3117985WZYPSRCFDALOMH-UHFFFAOYSA-N5-butyl-1-{4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 68518282
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
1 records
Compound notes
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