4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

C11H17N3O2 — CID 12550758

IUPAC4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCOc1c(N2CCCC2)cnn(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-3-16-10-9(14-6-4-5-7-14)8-12-13(2)11(10)15/h8H,3-7H2,1-2H3
InChIKeyKOMQBHBPQNLNNX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds3

About 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 12550758) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID12550758
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCCOc1c(N2CCCC2)cnn(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-3-16-10-9(14-6-4-5-7-14)8-12-13(2)11(10)15/h8H,3-7H2,1-2H3
InChIKeyKOMQBHBPQNLNNX-UHFFFAOYSA-N
XLogP0.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (CID 12550758) is 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is CCOc1c(N2CCCC2)cnn(C)c1=O.
What is the InChIKey of 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is KOMQBHBPQNLNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-10-9(14-6-4-5-7-14)8-12-13(2)11(10)15/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 12550758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).