6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one

C16H11F3N2O2S — CID 52901333

IUPAC6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)23-12-4-1-3-11(9-12)10-21-15(22)7-6-13(20-21)14-5-2-8-24-14/h1-9H,10H2
InChIKeyWKQHVTNTPJVWCQ-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.92
Rot. Bonds4

About 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one

6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one (PubChem CID 52901333) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one
PubChem CID52901333
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)23-12-4-1-3-11(9-12)10-21-15(22)7-6-13(20-21)14-5-2-8-24-14/h1-9H,10H2
InChIKeyWKQHVTNTPJVWCQ-UHFFFAOYSA-N
XLogP3.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-Methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 3826900
1-(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 2952694
[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
CID 11451524
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3224454
3-(3-Methoxyphenyl)-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 6484429
2-[1-(3-Methoxybenzoyl)piperidin-4-YL]-6-(thiophen-3-YL)-2,3-dihydropyridazin-3-one
CID 53041192
4-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[(thiophen-2-yl)methyl]butanamide
CID 16885052
N-(2-methoxybenzyl)-4-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)butanamide
CID 25854523
6-(3-Fluoro-4-methoxyphenyl)-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]pyridazin-3-one
CID 16668839
2-methyl-3-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)-N-(2-(trifluoromethoxy)benzyl)propanamide
CID 52992135
6-(3,4-Dimethoxyphenyl)-2-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridazin-3-one
CID 156405619
6-[4-(Difluoromethoxy)-3-methoxyphenyl]-2-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridazin-3-one
CID 156405863

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one (CID 52901333) is 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one is O=c1ccc(-c2cccs2)nn1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one?
The InChIKey is WKQHVTNTPJVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)23-12-4-1-3-11(9-12)10-21-15(22)7-6-13(20-21)14-5-2-8-24-14/h1-9H,10H2.
What are the key properties of 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one?
6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one has a molecular weight of 352.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 52901333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).