3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one

C19H16F3N3O2 — CID 86764215

IUPAC3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C19H16F3N3O2/c1-10-9-13(27-18-15(19(20,21)22)5-4-8-23-18)6-7-14(10)16-11(2)17(26)25-24-12(16)3/h4-9H,1-3H3,(H,25,26)
InChIKeyNZTUNCYSFXUEKA-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.57
Rot. Bonds3

About 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one

3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one (PubChem CID 86764215) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one
PubChem CID86764215
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one
SMILESCc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C19H16F3N3O2/c1-10-9-13(27-18-15(19(20,21)22)5-4-8-23-18)6-7-14(10)16-11(2)17(26)25-24-12(16)3/h4-9H,1-3H3,(H,25,26)
InChIKeyNZTUNCYSFXUEKA-UHFFFAOYSA-N
XLogP4.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one (CID 86764215) is 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one is Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one?
The InChIKey is NZTUNCYSFXUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-10-9-13(27-18-15(19(20,21)22)5-4-8-23-18)6-7-14(10)16-11(2)17(26)25-24-12(16)3/h4-9H,1-3H3,(H,25,26).
What are the key properties of 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one?
3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one has a molecular weight of 375.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 86764215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).