2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one

C13H19N3O3 — CID 102735283

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H19N3O3/c17-12-3-1-2-11(12)16-13(18)8-10(9-14-16)15-4-6-19-7-5-15/h8-9,11-12,17H,1-7H2/t11-,12-/m0/s1
InChIKeyNPVCNZPUTFJEGQ-RYUDHWBXSA-N
MW265.31 g/mol
LogP0.17
Rot. Bonds2

About 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 102735283) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID102735283
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H19N3O3/c17-12-3-1-2-11(12)16-13(18)8-10(9-14-16)15-4-6-19-7-5-15/h8-9,11-12,17H,1-7H2/t11-,12-/m0/s1
InChIKeyNPVCNZPUTFJEGQ-RYUDHWBXSA-N
XLogP0.17
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one (CID 102735283) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one is O=c1cc(N2CCOCC2)cnn1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is NPVCNZPUTFJEGQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12-3-1-2-11(12)16-13(18)8-10(9-14-16)15-4-6-19-7-5-15/h8-9,11-12,17H,1-7H2/t11-,12-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 102735283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).