6-(5-amino-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2H)-pyridazinone

HCID 11565776

Notes Reactions

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Basic information

Standard SMILES: CC(C)n1nc(-c2ncc(N)nc2-c2ccccc2)ccc1=O
InChIKey: GIEWQDZRWCTQSO-UHFFFAOYSA-N
Molecular formula: C17H17N5O
Average molar mass: 307.35 g/mol
Monoisotopic mass: 307.14331018

Names & identifiers

Preferred name: 6-(5-amino-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2H)-pyridazinone
IUPAC: 6-(5-amino-3-phenylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one

Names & synonyms

SCHEMBL5149067GIEWQDZRWCTQSO-UHFFFAOYSA-N6-(5-amino-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2H)-pyridazinone

Database identifiers

PubChem CID: 11565776

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 495

Related reactions

7 records

New reaction record

HRID 191227As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 915026As productuspto-grants-2007_09

HRID 915034As reactantuspto-grants-2007_09

HRID 915043As reactantuspto-grants-2007_09

HRID 915049As reactantuspto-grants-2007_09

HRID 1550110As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2310402As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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