3-cyclopentyl-4H-pyridazin-5-one

C9H12N2O — CID 55268562

IUPAC3-cyclopentyl-4H-pyridazin-5-one
SMILESO=C1C=NN=C(C2CCCC2)C1
InChIInChI=1S/C9H12N2O/c12-8-5-9(11-10-6-8)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyVCXHCWYKVIZALM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.58
Rot. Bonds1

About 3-cyclopentyl-4H-pyridazin-5-one

3-cyclopentyl-4H-pyridazin-5-one (PubChem CID 55268562) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-cyclopentyl-4H-pyridazin-5-one.

Molecular Properties

Compound Name3-cyclopentyl-4H-pyridazin-5-one
PubChem CID55268562
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-cyclopentyl-4H-pyridazin-5-one
SMILESO=C1C=NN=C(C2CCCC2)C1
InChIInChI=1S/C9H12N2O/c12-8-5-9(11-10-6-8)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyVCXHCWYKVIZALM-UHFFFAOYSA-N
XLogP1.58
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4H-pyridazin-5-one?
The IUPAC name of 3-cyclopentyl-4H-pyridazin-5-one (CID 55268562) is 3-cyclopentyl-4H-pyridazin-5-one.
What is the SMILES notation for 3-cyclopentyl-4H-pyridazin-5-one?
The canonical SMILES for 3-cyclopentyl-4H-pyridazin-5-one is O=C1C=NN=C(C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-4H-pyridazin-5-one?
The InChIKey is VCXHCWYKVIZALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-8-5-9(11-10-6-8)7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of 3-cyclopentyl-4H-pyridazin-5-one?
3-cyclopentyl-4H-pyridazin-5-one has a molecular weight of 164.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4H-pyridazin-5-one is sourced from PubChem (CID 55268562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).