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1-[4-(9-Phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine

HCID 24809556
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CCC1
InChIKey
RHFZLVYRWOKZCQ-UHFFFAOYSA-N
Molecular formula
C25H21N5
Average molar mass
391.5 g/mol

Names & identifiers

Preferred name
1-[4-(9-Phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
IUPAC
1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine

Names & synonyms

SCHEMBL2026882

Database identifiers

PubChem CID
24809556

Properties

Computed structural propertiesFilling in

XLogP
4.3
Topological polar surface area
69.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Formal charge
0
Complexity
592

Related reactions

2 records
New reaction record
HRID 196460 reaction equation
HRID 196460As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2338816 reaction equation
HRID 2338816As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes