Basic information
- CAS
684236-14-4- Standard SMILES
CC(C)c1ccc(O)c(NC(=O)c2ncn[nH]2)c1- InChIKey
DBQOJGRDUAVBEQ-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2
- Average molar mass
- 246.27 g/mol
- Monoisotopic mass
- 246.1116757
Names & identifiers
- Preferred name
- N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide
- IUPAC
- N-(2-hydroxy-5-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
- English name
- 1H-1,2,4-Triazole-3-carboxamide,N-[2-hydroxy-5-(1-methylethyl)phenyl]-(9CI)
- Molecular formula
- C12H14N4O2
- Molecular weight
- 246.27
Names & synonyms
SMR000019793MLS000043172CHEMBL1331690HMS2418K06AKOS001677059EU-0014912SR-01000084411SR-01000084411-1N-(2-hydroxy-5-isopropylphenyl)-1H-1,2,4-triazole-3-carboxamide1H-1,2,4-Triazole-5-carboxamide, N-[2-hydroxy-5-(1-methylethyl)phenyl]-1H-1,2,4-Triazole-3-carboxamide,N-[2-hydroxy-5-(1-methylethyl)phenyl]-(9CI)
Database identifiers
- CAS
684236-14-4- PubChem CID
- 3243935
- ChEMBL
CHEMBL1331690
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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