4-cyclopentyl-1H-pyridazin-6-one

C9H12N2O — CID 55274590

IUPAC4-cyclopentyl-1H-pyridazin-6-one
SMILESO=c1cc(C2CCCC2)cn[nH]1
InChIInChI=1S/C9H12N2O/c12-9-5-8(6-10-11-9)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12)
InChIKeyUCDLCXCJNLUMJN-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.43
Rot. Bonds1

About 4-cyclopentyl-1H-pyridazin-6-one

4-cyclopentyl-1H-pyridazin-6-one (PubChem CID 55274590) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-cyclopentyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-1H-pyridazin-6-one
PubChem CID55274590
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-cyclopentyl-1H-pyridazin-6-one
SMILESO=c1cc(C2CCCC2)cn[nH]1
InChIInChI=1S/C9H12N2O/c12-9-5-8(6-10-11-9)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12)
InChIKeyUCDLCXCJNLUMJN-UHFFFAOYSA-N
XLogP1.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1H-pyridazin-6-one?
The IUPAC name of 4-cyclopentyl-1H-pyridazin-6-one (CID 55274590) is 4-cyclopentyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-cyclopentyl-1H-pyridazin-6-one?
The canonical SMILES for 4-cyclopentyl-1H-pyridazin-6-one is O=c1cc(C2CCCC2)cn[nH]1.
What is the InChIKey of 4-cyclopentyl-1H-pyridazin-6-one?
The InChIKey is UCDLCXCJNLUMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-5-8(6-10-11-9)7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12).
What are the key properties of 4-cyclopentyl-1H-pyridazin-6-one?
4-cyclopentyl-1H-pyridazin-6-one has a molecular weight of 164.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1H-pyridazin-6-one is sourced from PubChem (CID 55274590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).