Basic information
- CAS
86123-70-8- Standard SMILES
COc1ccccc1N1CCN(c2nc(NC(=O)c3ccccc3)nn2C)CC1- InChIKey
UOEHPTPDFKDPJK-UHFFFAOYSA-N- Molecular formula
- C21H24N6O2
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.19607403
Names & identifiers
- Preferred name
- N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-yl]benzamide
- IUPAC
- N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-yl]benzamide
Names & synonyms
86123-70-8N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-1,2,4-triazol-3-yl]benzamideDTXSID00321202NSC-371828N-{5-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-methyl-1H-1,2,4-triazol-3-yl}benzamide
Database identifiers
- CAS
86123-70-8- PubChem CID
- 340751
- DTXSID
DTXSID00321202
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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