Basic information
- Standard SMILES
Nc1nc(CCCOc2ccc(F)cc2)n[nH]1- InChIKey
AEBAGOGCJNUODI-UHFFFAOYSA-N- Molecular formula
- C11H13FN4O
- Average molar mass
- 236.25 g/mol
- Monoisotopic mass
- 236.10733921
Names & identifiers
- Preferred name
- 3-[3-(4-fluorophenoxy)propyl]-1H-1,2,4-triazol-5-amine
- IUPAC
- 5-[3-(4-fluorophenoxy)propyl]-1H-1,2,4-triazol-3-amine
Database identifiers
- PubChem CID
- 86719328
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Related reactions
2 records
Compound notes
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