3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one

C11H16N2O — CID 155276763

IUPAC3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one
SMILESCCc1cc(C2CC(C)C2)c(=O)[nH]n1
InChIInChI=1S/C11H16N2O/c1-3-9-6-10(11(14)13-12-9)8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyKUNRYTQORSBGOC-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.85
Rot. Bonds2

About 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one

3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one (PubChem CID 155276763) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one
PubChem CID155276763
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one
SMILESCCc1cc(C2CC(C)C2)c(=O)[nH]n1
InChIInChI=1S/C11H16N2O/c1-3-9-6-10(11(14)13-12-9)8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyKUNRYTQORSBGOC-UHFFFAOYSA-N
XLogP1.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one?
The IUPAC name of 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one (CID 155276763) is 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one is CCc1cc(C2CC(C)C2)c(=O)[nH]n1.
What is the InChIKey of 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one?
The InChIKey is KUNRYTQORSBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-9-6-10(11(14)13-12-9)8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one?
3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methylcyclobutyl)-1H-pyridazin-6-one is sourced from PubChem (CID 155276763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).