2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one

C14H11FN2O — CID 126809943

IUPAC2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one
SMILESCC#CCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C14H11FN2O/c1-2-3-10-17-14(18)9-8-13(16-17)11-4-6-12(15)7-5-11/h4-9H,10H2,1H3
InChIKeyLVKRLPIAJYUQIT-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.07
Rot. Bonds2

About 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one

2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 126809943) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID126809943
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one
SMILESCC#CCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C14H11FN2O/c1-2-3-10-17-14(18)9-8-13(16-17)11-4-6-12(15)7-5-11/h4-9H,10H2,1H3
InChIKeyLVKRLPIAJYUQIT-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
CID 41241395
6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027512
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543
N-ethyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 121051529
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one (CID 126809943) is 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one is CC#CCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is LVKRLPIAJYUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-2-3-10-17-14(18)9-8-13(16-17)11-4-6-12(15)7-5-11/h4-9H,10H2,1H3.
What are the key properties of 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one?
2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 242.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 126809943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).