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Basic information
- Standard SMILES
NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)-c3n[nH]c(=O)n3CC4)cc2)CCC1- InChIKey
WHSQFIQYHWFGJP-UHFFFAOYSA-N- Molecular formula
- C25H23N5O
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- 8(4-(1-aminocyclobutyl)phenyl)-9-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one
- IUPAC
- 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one
Names & synonyms
SCHEMBL2032551WHSQFIQYHWFGJP-UHFFFAOYSA-N8(4-(1-aminocyclobutyl)phenyl)-9-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one
Database identifiers
- PubChem CID
- 53261925
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 719
Related reactions
1 records
Compound notes
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