Basic information
- Standard SMILES
O=C(O)c1[nH]c2ccc(Cn3cncn3)cc2c1CCO- InChIKey
AGOFLSFWUIJBFQ-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3
- Average molar mass
- 286.29 g/mol
Names & identifiers
- Preferred name
- 3-(2-Hydroxyethyl)-5-[1,2,4]triazol-1-ylmethyl-1h-indol-2-carboxylic acid
- IUPAC
- 3-(2-hydroxyethyl)-5-(1,2,4-triazol-1-ylmethyl)-1H-indole-2-carboxylic acid
Names & synonyms
SCHEMBL5406066AGOFLSFWUIJBFQ-UHFFFAOYSA-N3-(2-hydroxyethyl)-5-[1,2,4-triazol-1-ylmethyl]-1H-indol-2-carboxylic acid3-(2-hydroxyethyl)-5-[1,2,4]triazol-1-ylmethyl-1h-indol-2-carboxylic acid
Database identifiers
- PubChem CID
- 10356643
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
2 records
Compound notes
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