5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one

C11H10FN3O — CID 68603864

IUPAC5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1c(N)cc(-c2ccn[nH]c2=O)cc1F
InChIInChI=1S/C11H10FN3O/c1-6-9(12)4-7(5-10(6)13)8-2-3-14-15-11(8)16/h2-5H,13H2,1H3,(H,15,16)
InChIKeyQWQLNROHBMPWFV-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.47
Rot. Bonds1

About 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one

5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one (PubChem CID 68603864) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one
PubChem CID68603864
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1c(N)cc(-c2ccn[nH]c2=O)cc1F
InChIInChI=1S/C11H10FN3O/c1-6-9(12)4-7(5-10(6)13)8-2-3-14-15-11(8)16/h2-5H,13H2,1H3,(H,15,16)
InChIKeyQWQLNROHBMPWFV-UHFFFAOYSA-N
XLogP1.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one (CID 68603864) is 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one is Cc1c(N)cc(-c2ccn[nH]c2=O)cc1F.
What is the InChIKey of 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is QWQLNROHBMPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-6-9(12)4-7(5-10(6)13)8-2-3-14-15-11(8)16/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one?
5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one has a molecular weight of 219.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-5-fluoro-4-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 68603864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).