Basic information
- Standard SMILES
Clc1nc2ccn3c(-c4ncccn4)nnc3c2cc1-c1ccccc1- InChIKey
IXBMWRDOISBNNG-UHFFFAOYSA-N- Molecular formula
- C19H11ClN6
- Average molar mass
- 358.8 g/mol
Names & identifiers
- Preferred name
- 8-Chloro-9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridine
- IUPAC
- 8-chloro-9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
Names & synonyms
SCHEMBL1674621IXBMWRDOISBNNG-UHFFFAOYSA-N8-chloro-9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridine
Database identifiers
- PubChem CID
- 58229872
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
2 records
Compound notes
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