5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one

C11H16N2O — CID 155276761

IUPAC5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(C2CCC2)c(=O)[nH]n1
InChIInChI=1S/C11H16N2O/c1-7(2)10-6-9(8-4-3-5-8)11(14)13-12-10/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRGIXZZZEFSUNHU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.16
Rot. Bonds2

About 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one

5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 155276761) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID155276761
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(C2CCC2)c(=O)[nH]n1
InChIInChI=1S/C11H16N2O/c1-7(2)10-6-9(8-4-3-5-8)11(14)13-12-10/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRGIXZZZEFSUNHU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one (CID 155276761) is 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one is CC(C)c1cc(C2CCC2)c(=O)[nH]n1.
What is the InChIKey of 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is RGIXZZZEFSUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)10-6-9(8-4-3-5-8)11(14)13-12-10/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one?
5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 192.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 155276761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).