5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one

C13H19N3O3 — CID 97208339

IUPAC5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1C[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O3/c17-13-8-11(15-3-6-18-7-4-15)9-14-16(13)10-12-2-1-5-19-12/h8-9,12H,1-7,10H2/t12-/m0/s1
InChIKeyFFPZUWCDFDJFGA-LBPRGKRZSA-N
MW265.31 g/mol
LogP0.26
Rot. Bonds3

About 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one

5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one (PubChem CID 97208339) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one
PubChem CID97208339
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1C[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O3/c17-13-8-11(15-3-6-18-7-4-15)9-14-16(13)10-12-2-1-5-19-12/h8-9,12H,1-7,10H2/t12-/m0/s1
InChIKeyFFPZUWCDFDJFGA-LBPRGKRZSA-N
XLogP0.26
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one (CID 97208339) is 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one is O=c1cc(N2CCOCC2)cnn1C[C@@H]1CCCO1.
What is the InChIKey of 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one?
The InChIKey is FFPZUWCDFDJFGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-13-8-11(15-3-6-18-7-4-15)9-14-16(13)10-12-2-1-5-19-12/h8-9,12H,1-7,10H2/t12-/m0/s1.
What are the key properties of 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one?
5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 97208339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).