Basic information
- Standard SMILES
CCOc1cccc(Oc2ccc(-n3c(C)n[nH]c3=O)cc2)c1- InChIKey
IFWWFBSJDUPWOE-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
Names & identifiers
- Preferred name
- 4-(4-{[3-(ethyloxy)phenyl]oxy}phenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 4-[4-(3-ethoxyphenoxy)phenyl]-3-methyl-1H-1,2,4-triazol-5-one
Names & synonyms
SCHEMBL15547383SCHEMBL30939611IFWWFBSJDUPWOE-UHFFFAOYSA-N4-(4-{[3-(ethyloxy)phenyl]oxy}phenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 90023960
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
1 records
Compound notes
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