ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate

C12H18FN3O3 — CID 114394095

IUPACethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate
SMILESCCCN(C)c1cnn(C(F)C(=O)OCC)c(=O)c1
InChIInChI=1S/C12H18FN3O3/c1-4-6-15(3)9-7-10(17)16(14-8-9)11(13)12(18)19-5-2/h7-8,11H,4-6H2,1-3H3
InChIKeyOGGGPGUWUTZYPS-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.12
Rot. Bonds6

About ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate

ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate (PubChem CID 114394095) has the molecular formula C12H18FN3O3 and a molecular weight of 271.29 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate
PubChem CID114394095
Molecular FormulaC12H18FN3O3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate
SMILESCCCN(C)c1cnn(C(F)C(=O)OCC)c(=O)c1
InChIInChI=1S/C12H18FN3O3/c1-4-6-15(3)9-7-10(17)16(14-8-9)11(13)12(18)19-5-2/h7-8,11H,4-6H2,1-3H3
InChIKeyOGGGPGUWUTZYPS-UHFFFAOYSA-N
XLogP1.12
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate 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 ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate (CID 114394095) is ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate is CCCN(C)c1cnn(C(F)C(=O)OCC)c(=O)c1.
What is the InChIKey of ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate?
The InChIKey is OGGGPGUWUTZYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3/c1-4-6-15(3)9-7-10(17)16(14-8-9)11(13)12(18)19-5-2/h7-8,11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate?
ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate has a molecular weight of 271.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 114394095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).