2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one

C11H10ClN3O — CID 68604603

IUPAC2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one
SMILESCc1cc(Cl)c(-n2ncccc2=O)cc1N
InChIInChI=1S/C11H10ClN3O/c1-7-5-8(12)10(6-9(7)13)15-11(16)3-2-4-14-15/h2-6H,13H2,1H3
InChIKeyZREWFXOZKMMOFS-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.78
Rot. Bonds1

About 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one

2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one (PubChem CID 68604603) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one
PubChem CID68604603
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one
SMILESCc1cc(Cl)c(-n2ncccc2=O)cc1N
InChIInChI=1S/C11H10ClN3O/c1-7-5-8(12)10(6-9(7)13)15-11(16)3-2-4-14-15/h2-6H,13H2,1H3
InChIKeyZREWFXOZKMMOFS-UHFFFAOYSA-N
XLogP1.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one (CID 68604603) is 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one is Cc1cc(Cl)c(-n2ncccc2=O)cc1N.
What is the InChIKey of 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one?
The InChIKey is ZREWFXOZKMMOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-5-8(12)10(6-9(7)13)15-11(16)3-2-4-14-15/h2-6H,13H2,1H3.
What are the key properties of 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one?
2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one has a molecular weight of 235.67 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chloro-4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 68604603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).