4-cyclohexyl-1H-pyridazin-6-one

C10H14N2O — CID 55274591

IUPAC4-cyclohexyl-1H-pyridazin-6-one
SMILESO=c1cc(C2CCCCC2)cn[nH]1
InChIInChI=1S/C10H14N2O/c13-10-6-9(7-11-12-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKeyCYXKRHOCQHJCCA-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.82
Rot. Bonds1

About 4-cyclohexyl-1H-pyridazin-6-one

4-cyclohexyl-1H-pyridazin-6-one (PubChem CID 55274591) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-cyclohexyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-cyclohexyl-1H-pyridazin-6-one
PubChem CID55274591
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-cyclohexyl-1H-pyridazin-6-one
SMILESO=c1cc(C2CCCCC2)cn[nH]1
InChIInChI=1S/C10H14N2O/c13-10-6-9(7-11-12-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13)
InChIKeyCYXKRHOCQHJCCA-UHFFFAOYSA-N
XLogP1.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1H-pyridazin-6-one?
The IUPAC name of 4-cyclohexyl-1H-pyridazin-6-one (CID 55274591) is 4-cyclohexyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-cyclohexyl-1H-pyridazin-6-one?
The canonical SMILES for 4-cyclohexyl-1H-pyridazin-6-one is O=c1cc(C2CCCCC2)cn[nH]1.
What is the InChIKey of 4-cyclohexyl-1H-pyridazin-6-one?
The InChIKey is CYXKRHOCQHJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-6-9(7-11-12-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,13).
What are the key properties of 4-cyclohexyl-1H-pyridazin-6-one?
4-cyclohexyl-1H-pyridazin-6-one has a molecular weight of 178.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1H-pyridazin-6-one is sourced from PubChem (CID 55274591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).