ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one

C9H13F3N2O — CID 171492708

IUPACethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC.CCc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C7H7F3N2O.C2H6/c1-2-4-3-5(7(8,9)10)6(13)12-11-4;1-2/h3H,2H2,1H3,(H,12,13);1-2H3
InChIKeyIHYCCJIKPUWABN-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.38
Rot. Bonds1

About ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one

ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 171492708) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Nameethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID171492708
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Nameethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC.CCc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C7H7F3N2O.C2H6/c1-2-4-3-5(7(8,9)10)6(13)12-11-4;1-2/h3H,2H2,1H3,(H,12,13);1-2H3
InChIKeyIHYCCJIKPUWABN-UHFFFAOYSA-N
XLogP2.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cetohexazine
CID 193965
6-Methyl-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 11435269
6-Cyclopropyl-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 12170154
3-Hydroxy-5,6-tetramethylene-4-(trifluoromethyl)pyridazine
CID 12170155
Ethyl 2-(6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-3-yl)acetate
CID 12170164
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 123133679
6-(Aminomethyl)-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one hydrochloride
CID 154852986
4-(trifluoromethyl)-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one
CID 16227728
5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one
CID 54400656
3-propyl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 123343066
5-ethyl-3-(trifluoromethyl)-1H-pyridazin-6-one
CID 135195979
3-(difluoromethyl)-5-ethyl-1H-pyridazin-6-one
CID 135195986

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 171492708) is ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one is CC.CCc1cc(C(F)(F)F)c(=O)[nH]n1.
What is the InChIKey of ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is IHYCCJIKPUWABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O.C2H6/c1-2-4-3-5(7(8,9)10)6(13)12-11-4;1-2/h3H,2H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 222.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 171492708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).