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4-(4-Methylpyridazino[4,5-b]indolizin-1-yl)-piperazinecarboxaldehyde

HCID 15713337
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nnc(N2CCN(C=O)CC2)c2cc3ccccn3c12
InChIKey
RZKXMMQBMRAKSB-UHFFFAOYSA-N
Molecular formula
C16H17N5O
Average molar mass
295.34 g/mol

Names & identifiers

Preferred name
4-(4-Methylpyridazino[4,5-b]indolizin-1-yl)-piperazinecarboxaldehyde
IUPAC
4-(4-methylpyridazino[4,5-b]indolizin-1-yl)piperazine-1-carbaldehyde

Names & synonyms

SCHEMBL9872195RZKXMMQBMRAKSB-UHFFFAOYSA-N4-(4-Methylpyridazino[4,5-b]indolizin-1-yl)-piperazinecarboxaldehyde

Database identifiers

PubChem CID
15713337

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
53.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
411

Related reactions

2 records
New reaction record
HRID 284603 reaction equation
HRID 284603As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 704080 reaction equation
HRID 704080As productuspto-grants-1991_01

Compound notes

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