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

C12H18FN3O4 — CID 114393960

IUPACethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)C(F)n1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C12H18FN3O4/c1-4-20-12(18)11(13)16-10(17)7-9(8-14-16)15(2)5-6-19-3/h7-8,11H,4-6H2,1-3H3
InChIKeyPHTNSWAMMPFVNS-UHFFFAOYSA-N
MW287.29 g/mol
LogP0.36
Rot. Bonds7

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

ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate (PubChem CID 114393960) has the molecular formula C12H18FN3O4 and a molecular weight of 287.29 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate
PubChem CID114393960
Molecular FormulaC12H18FN3O4
Molecular Weight287.29 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate
SMILESCCOC(=O)C(F)n1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C12H18FN3O4/c1-4-20-12(18)11(13)16-10(17)7-9(8-14-16)15(2)5-6-19-3/h7-8,11H,4-6H2,1-3H3
InChIKeyPHTNSWAMMPFVNS-UHFFFAOYSA-N
XLogP0.36
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate (CID 114393960) is ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate is CCOC(=O)C(F)n1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate?
The InChIKey is PHTNSWAMMPFVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O4/c1-4-20-12(18)11(13)16-10(17)7-9(8-14-16)15(2)5-6-19-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate?
ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate has a molecular weight of 287.29 g/mol, XLogP of 0.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 114393960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).