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N-(6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonyl)glycine ethyl ester

HCID 22989322
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CNC(=O)c1nc2ccc(Cl)nn2c1C
InChIKey
PHLGKZYHDREHFB-UHFFFAOYSA-N
Molecular formula
C12H13ClN4O3
Average molar mass
296.71 g/mol

Names & identifiers

Preferred name
N-(6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonyl)glycine ethyl ester
IUPAC
ethyl 2-[(6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonyl)amino]acetate

Names & synonyms

SCHEMBL6617769PHLGKZYHDREHFB-UHFFFAOYSA-NN-(6-chloro-3-methylimidazo[1,2-b]pyridazine-2-carbonyl)glycine ethyl ester

Database identifiers

PubChem CID
22989322

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
85.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
382

Related reactions

5 records
New reaction record
HRID 156852 reaction equation
HRID 156852As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1067574 reaction equation
HRID 1067574As reactantuspto-grants-2001_06
HRID 1067604 reaction equation
HRID 1067604As productuspto-grants-2001_06
HRID 1169107 reaction equation
HRID 1169107As reactantuspto-grants-2003_09
HRID 1169143 reaction equation
HRID 1169143As productuspto-grants-2003_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes