5-cyclohexyl-3-ethyl-1H-pyridazin-6-one

C12H18N2O — CID 155276764

IUPAC5-cyclohexyl-3-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(C2CCCCC2)c(=O)[nH]n1
InChIInChI=1S/C12H18N2O/c1-2-10-8-11(12(15)14-13-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyUCBVFYOHXWMZJJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.38
Rot. Bonds2

About 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one

5-cyclohexyl-3-ethyl-1H-pyridazin-6-one (PubChem CID 155276764) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-3-ethyl-1H-pyridazin-6-one
PubChem CID155276764
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-cyclohexyl-3-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(C2CCCCC2)c(=O)[nH]n1
InChIInChI=1S/C12H18N2O/c1-2-10-8-11(12(15)14-13-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyUCBVFYOHXWMZJJ-UHFFFAOYSA-N
XLogP2.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one?
The IUPAC name of 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one (CID 155276764) is 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one is CCc1cc(C2CCCCC2)c(=O)[nH]n1.
What is the InChIKey of 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one?
The InChIKey is UCBVFYOHXWMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10-8-11(12(15)14-13-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one?
5-cyclohexyl-3-ethyl-1H-pyridazin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-ethyl-1H-pyridazin-6-one is sourced from PubChem (CID 155276764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).