Basic information
- Standard SMILES
COCCN(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1ccccc1Br- InChIKey
SFGQWDKNONDKDO-UHFFFAOYSA-N- Molecular formula
- C23H22BrN5O
- Average molar mass
- 464.4 g/mol
Names & identifiers
- Preferred name
- [4-(2-Bromophenyl)-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)-N-methylamine
- IUPAC
- 4-(2-bromophenyl)-N-(2-methoxyethyl)-N-methyl-5-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-amine
Names & synonyms
SCHEMBL5831902SFGQWDKNONDKDO-UHFFFAOYSA-N[4-(2-Bromophenyl)-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazo 1-3-yl]-N-(2-methoxyethyl)-N-methylamine[4-(2-Bromophenyl)-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol -3-yl]-N-(2-methoxyethyl)-N-methylamine[4-(2-Bromophenyl)-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)-N-methylamine[4-(2-bromophenyl)-5-(6-phenylpyridin-3-yl)-4h-1,2,4-triazol-3-yl]-n-(2-methoxyethyl)-n_methylamine
Database identifiers
- PubChem CID
- 22019250
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 520
Related reactions
6 records
Compound notes
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