6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one

C14H18N2O2 — CID 142202626

IUPAC6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C#CC2(O)CCCC2)ccc1=O
InChIInChI=1S/C14H18N2O2/c1-11(2)16-13(17)6-5-12(15-16)7-10-14(18)8-3-4-9-14/h5-6,11,18H,3-4,8-9H2,1-2H3
InChIKeyPFNXEOTZNVGSHL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds1

About 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one

6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one (PubChem CID 142202626) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one
PubChem CID142202626
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C#CC2(O)CCCC2)ccc1=O
InChIInChI=1S/C14H18N2O2/c1-11(2)16-13(17)6-5-12(15-16)7-10-14(18)8-3-4-9-14/h5-6,11,18H,3-4,8-9H2,1-2H3
InChIKeyPFNXEOTZNVGSHL-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[2-(1-Hydroxycyclobutyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 69965733
6-(3-Hydroxy-3-methylbut-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69966780
6-(3-Ethyl-3-hydroxypent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69966785
6-(3-Hydroxy-3-methylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967008
6-[2-(4-Hydroxyoxan-4-yl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 69967357
6-[2-(1-Hydroxycyclohexyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 69967448
6-[2-(1-Hydroxy-4-methylcyclohexyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 69968395
6-(3-Hydroxy-3,4-dimethylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 91594789
6-[2-(1-Hydroxy-4,4-dimethylcyclohexyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 142202636
6-[2-(1-Hydroxycycloheptyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 142202638
6-[2-(1-Hydroxycyclooctyl)ethynyl]-2-propan-2-ylpyridazin-3-one
CID 142202639
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 115759703

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one (CID 142202626) is 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(C#CC2(O)CCCC2)ccc1=O.
What is the InChIKey of 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is PFNXEOTZNVGSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(2)16-13(17)6-5-12(15-16)7-10-14(18)8-3-4-9-14/h5-6,11,18H,3-4,8-9H2,1-2H3.
What are the key properties of 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one?
6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-hydroxycyclopentyl)ethynyl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 142202626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).