2-cyclopentylpyridazin-3-one

C9H12N2O — CID 130841480

IUPAC2-cyclopentylpyridazin-3-one
SMILESO=c1cccnn1C1CCCC1
InChIInChI=1S/C9H12N2O/c12-9-6-3-7-10-11(9)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyCAPMFLSZFXWKTD-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.36
Rot. Bonds1

About 2-cyclopentylpyridazin-3-one

2-cyclopentylpyridazin-3-one (PubChem CID 130841480) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-cyclopentylpyridazin-3-one.

Molecular Properties

Compound Name2-cyclopentylpyridazin-3-one
PubChem CID130841480
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-cyclopentylpyridazin-3-one
SMILESO=c1cccnn1C1CCCC1
InChIInChI=1S/C9H12N2O/c12-9-6-3-7-10-11(9)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyCAPMFLSZFXWKTD-UHFFFAOYSA-N
XLogP1.36
TPSA34.89 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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-Difluorocyclohexyl)pyridazin-3-one
CID 175957551
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
2-Butylpyridazin-3-one
CID 12758395
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
2-(3-Methylbutan-2-yl)pyridazin-3-one
CID 58125063
2-Cyclopentyl-6-methylpyridazin-3-one
CID 59803333
2-Butan-2-ylpyridazin-3-one
CID 66921964
2-Pentylpyridazin-3-one
CID 69248716
2-Cyclohexyl-2,3-dihydropyridazin-3-one
CID 70313378
2-[(1R,3R)-3-aminocyclopentyl]pyridazin-3-one
CID 90397911
2-(3-Aminocyclopentyl)pyridazin-3-one
CID 123158872
2-Cyclopropyl-2,3-dihydropyridazin-3-one
CID 126857265

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylpyridazin-3-one?
The IUPAC name of 2-cyclopentylpyridazin-3-one (CID 130841480) is 2-cyclopentylpyridazin-3-one.
What is the SMILES notation for 2-cyclopentylpyridazin-3-one?
The canonical SMILES for 2-cyclopentylpyridazin-3-one is O=c1cccnn1C1CCCC1.
What is the InChIKey of 2-cyclopentylpyridazin-3-one?
The InChIKey is CAPMFLSZFXWKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-6-3-7-10-11(9)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-cyclopentylpyridazin-3-one?
2-cyclopentylpyridazin-3-one has a molecular weight of 164.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpyridazin-3-one is sourced from PubChem (CID 130841480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).