2-ethyl-5-(4-iodo-2-methyl-imidazol-1-yl)-2H-pyridazin-3-one

HCID 66865736

Notes Reactions

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Basic information

Standard SMILES: CCn1ncc(-n2cc(I)nc2C)cc1=O
InChIKey: APMNCCSUAUVAIB-UHFFFAOYSA-N
Molecular formula: C10H11IN4O
Average molar mass: 330.13 g/mol
Monoisotopic mass: 329.99776

Names & identifiers

Preferred name: 2-ethyl-5-(4-iodo-2-methyl-imidazol-1-yl)-2H-pyridazin-3-one
IUPAC: 2-ethyl-5-(4-iodo-2-methylimidazol-1-yl)pyridazin-3-one

Names & synonyms

2-ethyl-5-(4-iodo-2-methyl-imidazol-1-yl)-2H-pyridazin-3-oneSCHEMBL981075APMNCCSUAUVAIB-UHFFFAOYSA-N

Database identifiers

PubChem CID: 66865736

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 50.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 355

Related reactions

8 records

New reaction record

HRID 172644As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 691700As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1116619As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1573149As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2194452As reactantuspto-grants-2012_12

HRID 2194453As productuspto-grants-2012_12

HRID 2194457As reactantuspto-grants-2012_12

HRID 2194458As reactantuspto-grants-2012_12

Compound notes

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