N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide

C14H12F3N3O2 — CID 14820808

IUPACN-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C14H12F3N3O2/c1-8-6-12(22)13(18-9(2)21)19-20(8)11-5-3-4-10(7-11)14(15,16)17/h3-7H,1-2H3,(H,18,19,21)
InChIKeyAHHCIBHZIJHUAM-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.52
Rot. Bonds2

About N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide

N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide (PubChem CID 14820808) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide
PubChem CID14820808
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C14H12F3N3O2/c1-8-6-12(22)13(18-9(2)21)19-20(8)11-5-3-4-10(7-11)14(15,16)17/h3-7H,1-2H3,(H,18,19,21)
InChIKeyAHHCIBHZIJHUAM-UHFFFAOYSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide (CID 14820808) is N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide is CC(=O)Nc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O.
What is the InChIKey of N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide?
The InChIKey is AHHCIBHZIJHUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-8-6-12(22)13(18-9(2)21)19-20(8)11-5-3-4-10(7-11)14(15,16)17/h3-7H,1-2H3,(H,18,19,21).
What are the key properties of N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide?
N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide has a molecular weight of 311.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 14820808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).