ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate

C14H18F3N3O4 — CID 86864658

IUPACethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
SMILESCCCn1nc(C(=O)N(CC(=O)OCC)CC(F)(F)F)ccc1=O
InChIInChI=1S/C14H18F3N3O4/c1-3-7-20-11(21)6-5-10(18-20)13(23)19(9-14(15,16)17)8-12(22)24-4-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyLCGDAXRUGIGMHH-UHFFFAOYSA-N
MW349.31 g/mol
LogP1.22
Rot. Bonds7

About ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate

ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 86864658) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
PubChem CID86864658
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Nameethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
SMILESCCCn1nc(C(=O)N(CC(=O)OCC)CC(F)(F)F)ccc1=O
InChIInChI=1S/C14H18F3N3O4/c1-3-7-20-11(21)6-5-10(18-20)13(23)19(9-14(15,16)17)8-12(22)24-4-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyLCGDAXRUGIGMHH-UHFFFAOYSA-N
XLogP1.22
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate 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

N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
Ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate
CID 55008099
2-methyl-6-(3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl)pyridazin-3(2H)-one
CID 119101616
Ethyl 2-[5-formyl-6-oxo-3-(trifluoromethyl)pyridazin-1-yl]acetate
CID 141700067
2,2-Difluoroethyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 53597680
Ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
CID 56181382
2-[(1-Methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990612
Ethyl 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetate
CID 81297609
6-Methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one
CID 86818472
ethyl 2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetate
CID 92130861
methyl 2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetate
CID 92130862
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107482478

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate (CID 86864658) is ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate is CCCn1nc(C(=O)N(CC(=O)OCC)CC(F)(F)F)ccc1=O.
What is the InChIKey of ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is LCGDAXRUGIGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O4/c1-3-7-20-11(21)6-5-10(18-20)13(23)19(9-14(15,16)17)8-12(22)24-4-2/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate?
ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 349.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 86864658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).