2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide

C13H16F3N3O2 — CID 52695820

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H16F3N3O2/c1-2-5-17-11(20)7-19-12(21)9(13(14,15)16)6-10(18-19)8-3-4-8/h6,8H,2-5,7H2,1H3,(H,17,20)
InChIKeyXZDCFFAJITWEJQ-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.67
Rot. Bonds5

About 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide (PubChem CID 52695820) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide
PubChem CID52695820
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C13H16F3N3O2/c1-2-5-17-11(20)7-19-12(21)9(13(14,15)16)6-10(18-19)8-3-4-8/h6,8H,2-5,7H2,1H3,(H,17,20)
InChIKeyXZDCFFAJITWEJQ-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide (CID 52695820) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide is CCCNC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide?
The InChIKey is XZDCFFAJITWEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-2-5-17-11(20)7-19-12(21)9(13(14,15)16)6-10(18-19)8-3-4-8/h6,8H,2-5,7H2,1H3,(H,17,20).
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide has a molecular weight of 303.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 52695820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).