2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one

C10H14N2O2 — CID 106548846

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one
SMILESCc1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C10H14N2O2/c1-7-5-10(14)12(11-6-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyUQCCXJOXDJUEQK-IUCAKERBSA-N
MW194.23 g/mol
LogP0.64
Rot. Bonds1

About 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one (PubChem CID 106548846) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one
PubChem CID106548846
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one
SMILESCc1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C10H14N2O2/c1-7-5-10(14)12(11-6-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyUQCCXJOXDJUEQK-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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one (CID 106548846) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one is Cc1cnn([C@H]2CCC[C@@H]2O)c(=O)c1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridazin-3-one?
The InChIKey is UQCCXJOXDJUEQK-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-10(14)12(11-6-7)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]-5-methylpyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-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]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).