Basic information
- Standard SMILES
CCNC(=O)c1ccc(-n2nnc(C(=O)O)c2C(C)C)cc1- InChIKey
GLLDSAHXIQJDDL-UHFFFAOYSA-N- Molecular formula
- C15H18N4O3
- Average molar mass
- 302.33 g/mol
- Monoisotopic mass
- 302.13789045
Names & identifiers
- Preferred name
- 1-{4-[(ethylamino)carbonyl]phenyl}-5-isopropyl-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-[4-(ethylcarbamoyl)phenyl]-5-propan-2-yltriazole-4-carboxylic acid
Names & synonyms
912839-06-61-{4-[(ethylamino)carbonyl]phenyl}-5-isopropyl-1H-1,2,3-triazole-4-carboxylic acid1-(4-(Ethylcarbamoyl)phenyl)-5-isopropyl-1H-1,2,3-triazole-4-carboxylic acidSCHEMBL3109208GLLDSAHXIQJDDL-UHFFFAOYSA-NDB-372829A1-095061-[4-(ethylcarbamoyl)phenyl]-5-propan-2-yltriazole-4-carboxylic acid1-4-[(Ethylamino)carbonyl]phenyl-5-isopropyl-1h-1,2,3-triazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 68515166
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
2 records
Compound notes
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