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

C10H14N2O — CID 131701607

IUPAC3-cyclopentyl-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1C1CCCC1
InChIInChI=1S/C10H14N2O/c1-7-6-9(13)11-12-10(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,13)
InChIKeyJBOMFJNFEYKYRX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.74
Rot. Bonds1

About 3-cyclopentyl-4-methyl-1H-pyridazin-6-one

3-cyclopentyl-4-methyl-1H-pyridazin-6-one (PubChem CID 131701607) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-cyclopentyl-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-cyclopentyl-4-methyl-1H-pyridazin-6-one
PubChem CID131701607
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-cyclopentyl-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1C1CCCC1
InChIInChI=1S/C10H14N2O/c1-7-6-9(13)11-12-10(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,13)
InChIKeyJBOMFJNFEYKYRX-UHFFFAOYSA-N
XLogP1.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-cyclopentyl-4-methyl-1H-pyridazin-6-one (CID 131701607) is 3-cyclopentyl-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-cyclopentyl-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-cyclopentyl-4-methyl-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-4-methyl-1H-pyridazin-6-one?
The InChIKey is JBOMFJNFEYKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-6-9(13)11-12-10(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,13).
What are the key properties of 3-cyclopentyl-4-methyl-1H-pyridazin-6-one?
3-cyclopentyl-4-methyl-1H-pyridazin-6-one has a molecular weight of 178.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 131701607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).