2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H14F3N3O2 — CID 122278445

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-2-1-3-12(8-11)20-14(23)9-22-15(24)7-6-13(21-22)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,20,23)
InChIKeyWPTMUXCDTKCOCO-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.78
Rot. Bonds4

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 122278445) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID122278445
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-2-1-3-12(8-11)20-14(23)9-22-15(24)7-6-13(21-22)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,20,23)
InChIKeyWPTMUXCDTKCOCO-UHFFFAOYSA-N
XLogP2.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 122278501
3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86885102
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7662654
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 122278422
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 122278445) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nc(C2CC2)ccc1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WPTMUXCDTKCOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)11-2-1-3-12(8-11)20-14(23)9-22-15(24)7-6-13(21-22)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,20,23).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 337.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122278445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).