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

C7H7F3N2O — CID 171492709

IUPAC3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C7H7F3N2O/c1-2-4-3-5(7(8,9)10)6(13)12-11-4/h3H,2H2,1H3,(H,12,13)
InChIKeyMGTJBXIQEXMTPM-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.35
Rot. Bonds1

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

3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 171492709) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID171492709
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCc1cc(C(F)(F)F)c(=O)[nH]n1
InChIInChI=1S/C7H7F3N2O/c1-2-4-3-5(7(8,9)10)6(13)12-11-4/h3H,2H2,1H3,(H,12,13)
InChIKeyMGTJBXIQEXMTPM-UHFFFAOYSA-N
XLogP1.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 171492709) is 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one is CCc1cc(C(F)(F)F)c(=O)[nH]n1.
What is the InChIKey of 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is MGTJBXIQEXMTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-2-4-3-5(7(8,9)10)6(13)12-11-4/h3H,2H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one?
3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 192.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 171492709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).