2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H15F3N4O3 — CID 103223254

IUPAC2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCCOc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)7-16-9(19)6-18-10(20)4-8(5-17-18)21-3-1-2-15/h4-5H,1-3,6-7,15H2,(H,16,19)
InChIKeySTRACOARHOOQAL-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.35
Rot. Bonds7

About 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103223254) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103223254
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCCOc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)7-16-9(19)6-18-10(20)4-8(5-17-18)21-3-1-2-15/h4-5H,1-3,6-7,15H2,(H,16,19)
InChIKeySTRACOARHOOQAL-UHFFFAOYSA-N
XLogP-0.35
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)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-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103222825
5-(2-Aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103222856
5-(2-Aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103222873
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223046
5-(3-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223282
5-(3-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223299
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide
CID 103222649
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetamide
CID 103222729
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103222747
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butylacetamide
CID 103222761

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103223254) is 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCCCOc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is STRACOARHOOQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c12-11(13,14)7-16-9(19)6-18-10(20)4-8(5-17-18)21-3-1-2-15/h4-5H,1-3,6-7,15H2,(H,16,19).
What are the key properties of 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.26 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).