2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one

C13H20N4O2 — CID 97273068

IUPAC2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1C[C@@H]1CCCO1
InChIInChI=1S/C13H20N4O2/c18-13-8-11(16-5-3-14-4-6-16)9-15-17(13)10-12-2-1-7-19-12/h8-9,12,14H,1-7,10H2/t12-/m0/s1
InChIKeySSJQHERYKGWOAQ-LBPRGKRZSA-N
MW264.33 g/mol
LogP-0.17
Rot. Bonds3

About 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one

2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one (PubChem CID 97273068) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one
PubChem CID97273068
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1C[C@@H]1CCCO1
InChIInChI=1S/C13H20N4O2/c18-13-8-11(16-5-3-14-4-6-16)9-15-17(13)10-12-2-1-7-19-12/h8-9,12,14H,1-7,10H2/t12-/m0/s1
InChIKeySSJQHERYKGWOAQ-LBPRGKRZSA-N
XLogP-0.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one (CID 97273068) is 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one is O=c1cc(N2CCNCC2)cnn1C[C@@H]1CCCO1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is SSJQHERYKGWOAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13-8-11(16-5-3-14-4-6-16)9-15-17(13)10-12-2-1-7-19-12/h8-9,12,14H,1-7,10H2/t12-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 97273068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).