N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
Basic information
- CAS
445410-09-3- Standard SMILES
COc1cccc(CNc2ncn[nH]2)c1OCc1ccccc1F- InChIKey
TUIVHMOUNWPSLC-UHFFFAOYSA-N- Molecular formula
- C17H17FN4O2
- Average molar mass
- 328.34 g/mol
- Monoisotopic mass
- 328.13355396
Names & identifiers
- Preferred name
- N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
- IUPAC
- N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
Names & synonyms
445410-09-3N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amineN-(2-((2-fluorobenzyl)oxy)-3-methoxybenzyl)-1H-1,2,4-triazol-3-amineN-{2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}-1H-1,2,4-triazol-3-amineN-({2-[(2-Fluorophenyl)methoxy]-3-methoxyphenyl}methyl)-1H-1,2,4-triazol-5-amineMLS000706659CHEMBL1505161DTXSID901327385HMS2714L15STK511053AKOS000611022SMR000288111
Show more names
ST061879EU-0040699AN-465/149620041H-1,2,4-triazol-3-yl({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amin eN-{2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}-N-(1H-1,2,4-triazol-3-yl)amine
Database identifiers
- CAS
445410-09-3- PubChem CID
- 760178
- DTXSID
DTXSID901327385- ChEMBL
CHEMBL1505161
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Solubility9.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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