N(8)-(2-Methoxy-benzyl)-N(2)-(6-methyl-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
Basic information
- Standard SMILES
COc1ccccc1CNc1cccn2nc(Nc3ccc(C)nc3)nc12- InChIKey
LFVNMDRPCRBHPS-UHFFFAOYSA-N- Molecular formula
- C20H20N6O
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.16985928
Names & identifiers
- Preferred name
- N(8)-(2-Methoxy-benzyl)-N(2)-(6-methyl-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
- IUPAC
- 8-N-[(2-methoxyphenyl)methyl]-2-N-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
Names & synonyms
SCHEMBL2634369CHEMBL3645110BDBM99884LFVNMDRPCRBHPS-UHFFFAOYSA-NUS8501936, 403N(8)-(2-Methoxy-benzyl)-N(2)-(6-methyl-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
Database identifiers
- PubChem CID
- 59612445
- ChEMBL
CHEMBL3645110
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 466
Related reactions
3 records
Compound notes
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