6-ethyl-2-(trifluoromethyl)pyridazin-3-one

C7H7F3N2O — CID 90165374

IUPAC6-ethyl-2-(trifluoromethyl)pyridazin-3-one
SMILESCCc1ccc(=O)n(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O/c1-2-5-3-4-6(13)12(11-5)7(8,9)10/h3-4H,2H2,1H3
InChIKeyUERMLJZIMUHWDU-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.28
Rot. Bonds1

About 6-ethyl-2-(trifluoromethyl)pyridazin-3-one

6-ethyl-2-(trifluoromethyl)pyridazin-3-one (PubChem CID 90165374) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 6-ethyl-2-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-ethyl-2-(trifluoromethyl)pyridazin-3-one
PubChem CID90165374
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name6-ethyl-2-(trifluoromethyl)pyridazin-3-one
SMILESCCc1ccc(=O)n(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O/c1-2-5-3-4-6(13)12(11-5)7(8,9)10/h3-4H,2H2,1H3
InChIKeyUERMLJZIMUHWDU-UHFFFAOYSA-N
XLogP1.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Propan-2-yl-2-(trifluoromethyl)pyridazin-3-one
CID 122547245
6-Methyl-2-(trifluoromethyl)pyridazin-3-one
CID 122549629
2-(Fluoromethyl)-6-methylpyridazin-3-one
CID 122579452
6-Tert-butyl-2-(trifluoromethyl)pyridazin-3-one
CID 122606715
2-Methyl-6-(trifluoromethyl)pyridazin-3-one
CID 131085350
2,6-Dimethyl-5-(trifluoromethyl)pyridazin-3-one
CID 138715792
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
3-(1,1-difluoroethyl)-1H-pyridazin-6-one
CID 153999391
2,2-Difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide
CID 155796874
6-Methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 126857290
2-Ethyl-6-(trifluoromethyl)pyridazin-3-one
CID 131086302
2-Alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 146714322

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-ethyl-2-(trifluoromethyl)pyridazin-3-one (CID 90165374) is 6-ethyl-2-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-ethyl-2-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-ethyl-2-(trifluoromethyl)pyridazin-3-one is CCc1ccc(=O)n(C(F)(F)F)n1.
What is the InChIKey of 6-ethyl-2-(trifluoromethyl)pyridazin-3-one?
The InChIKey is UERMLJZIMUHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-2-5-3-4-6(13)12(11-5)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of 6-ethyl-2-(trifluoromethyl)pyridazin-3-one?
6-ethyl-2-(trifluoromethyl)pyridazin-3-one has a molecular weight of 192.14 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 90165374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).