methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate

C14H10F3N3O3 — CID 59769268

IUPACmethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnccc1NC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C14H10F3N3O3/c1-23-14(22)13-11(2-3-18-20-13)19-12(21)6-8-9(16)4-7(15)5-10(8)17/h2-5H,6H2,1H3,(H,18,19,21)
InChIKeyLNMCHUXKFQZTIE-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.86
Rot. Bonds4

About methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate

methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate (PubChem CID 59769268) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
PubChem CID59769268
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Namemethyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnccc1NC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C14H10F3N3O3/c1-23-14(22)13-11(2-3-18-20-13)19-12(21)6-8-9(16)4-7(15)5-10(8)17/h2-5H,6H2,1H3,(H,18,19,21)
InChIKeyLNMCHUXKFQZTIE-UHFFFAOYSA-N
XLogP1.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate (CID 59769268) is methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate is COC(=O)c1nnccc1NC(=O)Cc1c(F)cc(F)cc1F.
What is the InChIKey of methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
The InChIKey is LNMCHUXKFQZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c1-23-14(22)13-11(2-3-18-20-13)19-12(21)6-8-9(16)4-7(15)5-10(8)17/h2-5H,6H2,1H3,(H,18,19,21).
What are the key properties of methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate?
methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate has a molecular weight of 325.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 59769268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).