2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one

C10H14N2O2 — CID 102735148

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C10H14N2O2/c1-7-5-6-10(14)12(11-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyPFKFMIQKRBPNLL-IUCAKERBSA-N
MW194.23 g/mol
LogP0.64
Rot. Bonds1

About 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one (PubChem CID 102735148) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one
PubChem CID102735148
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C10H14N2O2/c1-7-5-6-10(14)12(11-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyPFKFMIQKRBPNLL-IUCAKERBSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 54994167
6-[2-(Hydroxymethyl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 61408686
6-[2-(Hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 61409122
6-[2-(Hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 61409129
2-Butyl-6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 61410848
N-cyclopentyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 61584927
1-(2-Hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid
CID 62714802
2-(5-Hydroxyhexyl)-6-methylpyridazin-3-one
CID 62922148
2-(4-Hydroxypentyl)-6-methylpyridazin-3-one
CID 62922149
2-(2-Hydroxybutyl)-6-methylpyridazin-3-one
CID 62923922
2-(5-Hydroxypentyl)-6-methylpyridazin-3-one
CID 62923923
2-(2-Hydroxypentyl)-6-methylpyridazin-3-one
CID 62924260

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one (CID 102735148) is 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n([C@H]2CCC[C@@H]2O)n1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one?
The InChIKey is PFKFMIQKRBPNLL-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-6-10(14)12(11-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 102735148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).