6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one

C14H15FN2OS — CID 82446742

IUPAC6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
SMILESCCCn1nc(-c2ccc(F)cc2)cc(CS)c1=O
InChIInChI=1S/C14H15FN2OS/c1-2-7-17-14(18)11(9-19)8-13(16-17)10-3-5-12(15)6-4-10/h3-6,8,19H,2,7,9H2,1H3
InChIKeyOUIUEQZCCYHNGB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.89
Rot. Bonds4

About 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one

6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one (PubChem CID 82446742) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
PubChem CID82446742
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
SMILESCCCn1nc(-c2ccc(F)cc2)cc(CS)c1=O
InChIInChI=1S/C14H15FN2OS/c1-2-7-17-14(18)11(9-19)8-13(16-17)10-3-5-12(15)6-4-10/h3-6,8,19H,2,7,9H2,1H3
InChIKeyOUIUEQZCCYHNGB-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1(6H)-Pyridazinepropanenitrile, 6-oxo-3-phenyl-
CID 4147009
2-[(4-Fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 2800006
2-Methyl-6-phenylpyridazin-3(2h)-one
CID 2783842
3-[3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid
CID 2810673
3-(6-Oxo-3-phenylpyridazin-1-yl)propanethioamide
CID 12787579
2-(6-Oxo-3-phenylpyridazin-1-yl)ethanethioamide
CID 15571567
Ammonium, (2-(4-methyl-3-oxo-6-phenyl-2-(2H)pyridazinyl)ethyl)trimethyl-, iodide
CID 34885
3(2H)-Pyridazinone, 2-(2-(diethylamino)ethyl)-4-methyl-6-phenyl-, hydrochloride
CID 102321
3(2H)-Pyridazinone, 2-(2-(dimethylamino)ethyl)-4-methyl-6-phenyl-, hydrochloride
CID 200794
3(2H)-Pyridazinone, 2-(2-diisopropylaminoethyl)-4-methyl-6-phenyl-, hydrochloride
CID 207636
3(2H)-Pyridazinone, 2-(3-dimethylaminopropyl)-4-methyl-6-phenyl-, hydrochloride
CID 207640
3-(3-(4-Fluorophenyl)-6-oxo-1(6H)-pyridazinyl)propanenitrile
CID 2810534

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one (CID 82446742) is 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one is CCCn1nc(-c2ccc(F)cc2)cc(CS)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one?
The InChIKey is OUIUEQZCCYHNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-2-7-17-14(18)11(9-19)8-13(16-17)10-3-5-12(15)6-4-10/h3-6,8,19H,2,7,9H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one?
6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one has a molecular weight of 278.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one is sourced from PubChem (CID 82446742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).