4-(cyclohexylmethoxy)-1H-pyridazin-6-one

C11H16N2O2 — CID 71607381

IUPAC4-(cyclohexylmethoxy)-1H-pyridazin-6-one
SMILESO=c1cc(OCC2CCCCC2)cn[nH]1
InChIInChI=1S/C11H16N2O2/c14-11-6-10(7-12-13-11)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,14)
InChIKeyYLBVIXXRRRCODB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds3

About 4-(cyclohexylmethoxy)-1H-pyridazin-6-one

4-(cyclohexylmethoxy)-1H-pyridazin-6-one (PubChem CID 71607381) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-1H-pyridazin-6-one
PubChem CID71607381
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(cyclohexylmethoxy)-1H-pyridazin-6-one
SMILESO=c1cc(OCC2CCCCC2)cn[nH]1
InChIInChI=1S/C11H16N2O2/c14-11-6-10(7-12-13-11)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,14)
InChIKeyYLBVIXXRRRCODB-UHFFFAOYSA-N
XLogP1.73
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-1H-pyridazin-6-one?
The IUPAC name of 4-(cyclohexylmethoxy)-1H-pyridazin-6-one (CID 71607381) is 4-(cyclohexylmethoxy)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(cyclohexylmethoxy)-1H-pyridazin-6-one?
The canonical SMILES for 4-(cyclohexylmethoxy)-1H-pyridazin-6-one is O=c1cc(OCC2CCCCC2)cn[nH]1.
What is the InChIKey of 4-(cyclohexylmethoxy)-1H-pyridazin-6-one?
The InChIKey is YLBVIXXRRRCODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-6-10(7-12-13-11)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,14).
What are the key properties of 4-(cyclohexylmethoxy)-1H-pyridazin-6-one?
4-(cyclohexylmethoxy)-1H-pyridazin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-1H-pyridazin-6-one is sourced from PubChem (CID 71607381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).