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

C13H19N3O2 — CID 97206861

IUPAC2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1C[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13-8-11(15-5-1-2-6-15)9-14-16(13)10-12-4-3-7-18-12/h8-9,12H,1-7,10H2/t12-/m0/s1
InChIKeyRHQBATAGSZWPBV-LBPRGKRZSA-N
MW249.31 g/mol
LogP1.02
Rot. Bonds3

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

2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 97206861) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID97206861
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1C[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13-8-11(15-5-1-2-6-15)9-14-16(13)10-12-4-3-7-18-12/h8-9,12H,1-7,10H2/t12-/m0/s1
InChIKeyRHQBATAGSZWPBV-LBPRGKRZSA-N
XLogP1.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 97206861) is 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1C[C@@H]1CCCO1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is RHQBATAGSZWPBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13-8-11(15-5-1-2-6-15)9-14-16(13)10-12-4-3-7-18-12/h8-9,12H,1-7,10H2/t12-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 97206861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).