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

C11H16N2O — CID 13374840

IUPAC3-cyclohexyl-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(C2CCCCC2)n[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14)
InChIKeyBBVXPJDXIWNCJV-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds1

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

3-cyclohexyl-5-methyl-1H-pyridazin-6-one (PubChem CID 13374840) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-cyclohexyl-5-methyl-1H-pyridazin-6-one
PubChem CID13374840
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclohexyl-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(C2CCCCC2)n[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14)
InChIKeyBBVXPJDXIWNCJV-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-cyclohexyl-5-methyl-1H-pyridazin-6-one (CID 13374840) is 3-cyclohexyl-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-cyclohexyl-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-cyclohexyl-5-methyl-1H-pyridazin-6-one is Cc1cc(C2CCCCC2)n[nH]c1=O.
What is the InChIKey of 3-cyclohexyl-5-methyl-1H-pyridazin-6-one?
The InChIKey is BBVXPJDXIWNCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-cyclohexyl-5-methyl-1H-pyridazin-6-one?
3-cyclohexyl-5-methyl-1H-pyridazin-6-one has a molecular weight of 192.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 13374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).