methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate

C10H11ClF3N3O3 — CID 114433243

IUPACmethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate
SMILESCOC(=O)C(C)Nc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H11ClF3N3O3/c1-5(9(19)20-2)16-6-3-15-17(4-10(12,13)14)8(18)7(6)11/h3,5,16H,4H2,1-2H3
InChIKeyUOFQQNDVLPNSTE-UHFFFAOYSA-N
MW313.66 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate

methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate (PubChem CID 114433243) has the molecular formula C10H11ClF3N3O3 and a molecular weight of 313.66 g/mol. Its IUPAC name is methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate
PubChem CID114433243
Molecular FormulaC10H11ClF3N3O3
Molecular Weight313.66 g/mol
Exact Mass313.04
IUPAC Namemethyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate
SMILESCOC(=O)C(C)Nc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H11ClF3N3O3/c1-5(9(19)20-2)16-6-3-15-17(4-10(12,13)14)8(18)7(6)11/h3,5,16H,4H2,1-2H3
InChIKeyUOFQQNDVLPNSTE-UHFFFAOYSA-N
XLogP1.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate 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

4-Chloro-2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 36250548
4-Chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 102698960
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-methylpyridazin-3-one
CID 103081449
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-Chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854507
Methyl 2-[5-chloro-6-oxo-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-1-yl]acetate
CID 105646934
Methyl 2-[5-chloro-4-[(3,3-difluoro-2-hydroxypropyl)amino]-6-oxopyridazin-1-yl]acetate
CID 105647552
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 105912970
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-propylpyridazin-3-one
CID 105913105
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 105913141
2-Butyl-4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]pyridazin-3-one
CID 105913143
Methyl 2-[5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-6-oxopyridazin-1-yl]acetate
CID 105913162

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate?
The IUPAC name of methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate (CID 114433243) is methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate is COC(=O)C(C)Nc1cnn(CC(F)(F)F)c(=O)c1Cl.
What is the InChIKey of methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate?
The InChIKey is UOFQQNDVLPNSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O3/c1-5(9(19)20-2)16-6-3-15-17(4-10(12,13)14)8(18)7(6)11/h3,5,16H,4H2,1-2H3.
What are the key properties of methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate?
methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate has a molecular weight of 313.66 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate is sourced from PubChem (CID 114433243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).