Basic information
- Standard SMILES
CCNC(=O)c1ccc(-n2nnc(C(=O)O)c2C)c(O)c1- InChIKey
OZBIHXLIFMBFSA-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4
- Average molar mass
- 290.27 g/mol
Names & identifiers
- Preferred name
- 1-{4-[(ethylamino)carbonyl]-2-hydroxyphenyl}-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-[4-(ethylcarbamoyl)-2-hydroxyphenyl]-5-methyltriazole-4-carboxylic acid
Names & synonyms
SCHEMBL3112083OZBIHXLIFMBFSA-UHFFFAOYSA-N1-{4-[(ethylamino)carbonyl]-2-hydroxyphenyl}-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 68516196
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Related reactions
1 records
Compound notes
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