5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one

C15H23N3O3 — CID 102735291

IUPAC5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCC1(C)CN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CCO1
InChIInChI=1S/C15H23N3O3/c1-15(2)10-17(6-7-21-15)11-8-14(20)18(16-9-11)12-4-3-5-13(12)19/h8-9,12-13,19H,3-7,10H2,1-2H3/t12-,13-/m0/s1
InChIKeySAGUEKVPKLDORS-STQMWFEESA-N
MW293.37 g/mol
LogP0.94
Rot. Bonds2

About 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one

5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (PubChem CID 102735291) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
PubChem CID102735291
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCC1(C)CN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CCO1
InChIInChI=1S/C15H23N3O3/c1-15(2)10-17(6-7-21-15)11-8-14(20)18(16-9-11)12-4-3-5-13(12)19/h8-9,12-13,19H,3-7,10H2,1-2H3/t12-,13-/m0/s1
InChIKeySAGUEKVPKLDORS-STQMWFEESA-N
XLogP0.94
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (CID 102735291) is 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is CC1(C)CN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CCO1.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The InChIKey is SAGUEKVPKLDORS-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2)10-17(6-7-21-15)11-8-14(20)18(16-9-11)12-4-3-5-13(12)19/h8-9,12-13,19H,3-7,10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one has a molecular weight of 293.37 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is sourced from PubChem (CID 102735291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).