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

C11H15F3N4O3 — CID 103223046

IUPAC2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(N)COc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H15F3N4O3/c1-7(15)5-21-8-2-10(20)18(17-3-8)4-9(19)16-6-11(12,13)14/h2-3,7H,4-6,15H2,1H3,(H,16,19)
InChIKeyUTLUYPLSMWHOFB-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.35
Rot. Bonds6

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

2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103223046) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103223046
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(N)COc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H15F3N4O3/c1-7(15)5-21-8-2-10(20)18(17-3-8)4-9(19)16-6-11(12,13)14/h2-3,7H,4-6,15H2,1H3,(H,16,19)
InChIKeyUTLUYPLSMWHOFB-UHFFFAOYSA-N
XLogP-0.35
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

Analyze 2-[4-(2-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-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103222873
5-(2-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223073
5-(2-Aminopropoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223090
2-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223254
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]propanamide
CID 103222665
5-(2-Aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 103222683
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-pentan-2-ylacetamide
CID 103222697
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
CID 103222711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103223046) is 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(N)COc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UTLUYPLSMWHOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-7(15)5-21-8-2-10(20)18(17-3-8)4-9(19)16-6-11(12,13)14/h2-3,7H,4-6,15H2,1H3,(H,16,19).
What are the key properties of 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.26 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103223046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).