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

C10H13F3N2O3 — CID 153358168

IUPAC4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCCOCCOc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-3-17-4-5-18-7-6-14-15-9(16)8(7)10(11,12)13/h6H,2-5H2,1H3,(H,15,16)
InChIKeyNAAXJXFPEWQUIT-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.59
Rot. Bonds6

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

4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 153358168) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID153358168
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCCOCCOc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-3-17-4-5-18-7-6-14-15-9(16)8(7)10(11,12)13/h6H,2-5H2,1H3,(H,15,16)
InChIKeyNAAXJXFPEWQUIT-UHFFFAOYSA-N
XLogP1.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]ethoxy]butanoate
CID 146218082
4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 156733424
4-(1-hydroxypropan-2-yloxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 167173461
4-[(2R)-1-hydroxypropan-2-yl]oxy-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 167173903
4-(2-propoxypropoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 170221544
3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]ethoxy]propanal
CID 170221556
4-(1-propoxypropan-2-yloxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 170221596
2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propanamide
CID 172185566
2-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanamide
CID 172185636
2-methyl-3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanamide
CID 172185665
3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanamide
CID 172185730
4-[1-(difluoromethoxy)-5-iodopentan-2-yl]oxy-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 176687765

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 153358168) is 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one is CCCOCCOc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is NAAXJXFPEWQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-2-3-17-4-5-18-7-6-14-15-9(16)8(7)10(11,12)13/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 266.22 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 153358168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).