4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one

C10H11F3N2O2 — CID 153358086

IUPAC4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OC2CCCC2)c1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-7(5-14-15-9(8)16)17-6-3-1-2-4-6/h5-6H,1-4H2,(H,15,16)
InChIKeyNXSGNTRQENZGAX-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.11
Rot. Bonds2

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

4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 153358086) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID153358086
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OC2CCCC2)c1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)8-7(5-14-15-9(8)16)17-6-3-1-2-4-6/h5-6H,1-4H2,(H,15,16)
InChIKeyNXSGNTRQENZGAX-UHFFFAOYSA-N
XLogP2.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 153358086) is 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]ncc(OC2CCCC2)c1C(F)(F)F.
What is the InChIKey of 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is NXSGNTRQENZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)8-7(5-14-15-9(8)16)17-6-3-1-2-4-6/h5-6H,1-4H2,(H,15,16).
What are the key properties of 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 248.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 153358086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).