2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C14H21N3O3 — CID 102735294

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)C1
InChIInChI=1S/C14H21N3O3/c1-20-11-5-6-16(9-11)10-7-14(19)17(15-8-10)12-3-2-4-13(12)18/h7-8,11-13,18H,2-6,9H2,1H3/t11?,12-,13-/m0/s1
InChIKeyKJNQXBBNLBRYGE-SPOOISQMSA-N
MW279.34 g/mol
LogP0.55
Rot. Bonds3

About 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 102735294) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID102735294
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)C1
InChIInChI=1S/C14H21N3O3/c1-20-11-5-6-16(9-11)10-7-14(19)17(15-8-10)12-3-2-4-13(12)18/h7-8,11-13,18H,2-6,9H2,1H3/t11?,12-,13-/m0/s1
InChIKeyKJNQXBBNLBRYGE-SPOOISQMSA-N
XLogP0.55
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.55
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-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 102735294) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)C1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is KJNQXBBNLBRYGE-SPOOISQMSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-11-5-6-16(9-11)10-7-14(19)17(15-8-10)12-3-2-4-13(12)18/h7-8,11-13,18H,2-6,9H2,1H3/t11?,12-,13-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.55, 3 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-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 102735294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).