Basic information
- Standard SMILES
Oc1ccc(C(c2ccc(O)cc2)n2cncn2)cc1- InChIKey
AGSUQRPIHMSTHE-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
Names & identifiers
- Preferred name
- 1-[Bis-(4-hydroxyphenyl)methyl]-1H-[1,2,4]triazole
- IUPAC
- 4-[(4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol
Names & synonyms
Letrozole derivative, 8CHEMBL480514SCHEMBL3229424BDBM24310AGSUQRPIHMSTHE-UHFFFAOYSA-N1-[Bis-(4-hydroxyphenyl)methyl]-1H-[1,2,4]triazole4-[(4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]phenol
Database identifiers
- PubChem CID
- 21976905
- ChEMBL
CHEMBL480514
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 277
Related reactions
1 records
Compound notes
Loading…