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

C11H13F3N2O2 — CID 170053414

IUPAC4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OC2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-8(6-15-16-10(9)17)18-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,17)
InChIKeyLADQHBWGPMJYDJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.50
Rot. Bonds2

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

4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 170053414) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID170053414
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OC2CCCCC2)c1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-8(6-15-16-10(9)17)18-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,17)
InChIKeyLADQHBWGPMJYDJ-UHFFFAOYSA-N
XLogP2.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 170053414) is 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]ncc(OC2CCCCC2)c1C(F)(F)F.
What is the InChIKey of 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is LADQHBWGPMJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)9-8(6-15-16-10(9)17)18-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,17).
What are the key properties of 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 262.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 170053414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).