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

C15H23N3O2 — CID 102735293

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-11-4-3-7-17(10-11)12-8-15(20)18(16-9-12)13-5-2-6-14(13)19/h8-9,11,13-14,19H,2-7,10H2,1H3/t11?,13-,14-/m0/s1
InChIKeyOGRSAGVNNDHYKV-VNXPTHQBSA-N
MW277.37 g/mol
LogP1.57
Rot. Bonds2

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

2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 102735293) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID102735293
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CCCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-11-4-3-7-17(10-11)12-8-15(20)18(16-9-12)13-5-2-6-14(13)19/h8-9,11,13-14,19H,2-7,10H2,1H3/t11?,13-,14-/m0/s1
InChIKeyOGRSAGVNNDHYKV-VNXPTHQBSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one (CID 102735293) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one is CC1CCCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)C1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is OGRSAGVNNDHYKV-VNXPTHQBSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-4-3-7-17(10-11)12-8-15(20)18(16-9-12)13-5-2-6-14(13)19/h8-9,11,13-14,19H,2-7,10H2,1H3/t11?,13-,14-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 102735293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).