4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one

C9H11F3N2O — CID 162611344

IUPAC4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one
SMILESCCCn1nc(C(F)(F)F)cc(C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-3-4-14-8(15)6(2)5-7(13-14)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyYIWCTFLLJXVYAG-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.98
Rot. Bonds2

About 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one

4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 162611344) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one
PubChem CID162611344
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one
SMILESCCCn1nc(C(F)(F)F)cc(C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-3-4-14-8(15)6(2)5-7(13-14)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyYIWCTFLLJXVYAG-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one (CID 162611344) is 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one is CCCn1nc(C(F)(F)F)cc(C)c1=O.
What is the InChIKey of 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is YIWCTFLLJXVYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-3-4-14-8(15)6(2)5-7(13-14)9(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one?
4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 220.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 162611344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).