4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one

C10H11F3N2O3 — CID 153358265

IUPAC4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OCC2CCCO2)c1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)8-7(4-14-15-9(8)16)18-5-6-2-1-3-17-6/h4,6H,1-3,5H2,(H,15,16)
InChIKeyYZNKMIFTCZZASL-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.35
Rot. Bonds3

About 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 153358265) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID153358265
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OCC2CCCO2)c1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)8-7(4-14-15-9(8)16)18-5-6-2-1-3-17-6/h4,6H,1-3,5H2,(H,15,16)
InChIKeyYZNKMIFTCZZASL-UHFFFAOYSA-N
XLogP1.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 153358265) is 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]ncc(OCC2CCCO2)c1C(F)(F)F.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is YZNKMIFTCZZASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)8-7(4-14-15-9(8)16)18-5-6-2-1-3-17-6/h4,6H,1-3,5H2,(H,15,16).
What are the key properties of 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 264.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 153358265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).