4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one

C8H9F3N2O — CID 131701596

IUPAC4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1CCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-4-7(14)13-12-6(5)2-3-8(9,10)11/h4H,2-3H2,1H3,(H,13,14)
InChIKeyWTKCMKNCMNJOSE-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one

4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one (PubChem CID 131701596) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one
PubChem CID131701596
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1CCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-4-7(14)13-12-6(5)2-3-8(9,10)11/h4H,2-3H2,1H3,(H,13,14)
InChIKeyWTKCMKNCMNJOSE-UHFFFAOYSA-N
XLogP1.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one (CID 131701596) is 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1CCC(F)(F)F.
What is the InChIKey of 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one?
The InChIKey is WTKCMKNCMNJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-4-7(14)13-12-6(5)2-3-8(9,10)11/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one?
4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one has a molecular weight of 206.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3,3,3-trifluoropropyl)-1H-pyridazin-6-one is sourced from PubChem (CID 131701596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).