2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one

C7H7F3N2O — CID 138715792

IUPAC2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1nn(C)c(=O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-4-5(7(8,9)10)3-6(13)12(2)11-4/h3H,1-2H3
InChIKeyNTSOUWJRJNFEAG-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.11
Rot. Bonds

About 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one

2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 138715792) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID138715792
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1nn(C)c(=O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-4-5(7(8,9)10)3-6(13)12(2)11-4/h3H,1-2H3
InChIKeyNTSOUWJRJNFEAG-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one (CID 138715792) is 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one is Cc1nn(C)c(=O)cc1C(F)(F)F.
What is the InChIKey of 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is NTSOUWJRJNFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-4-5(7(8,9)10)3-6(13)12(2)11-4/h3H,1-2H3.
What are the key properties of 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one?
2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 192.14 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 138715792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).