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

C12H19N3O2 — CID 12550757

IUPAC4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCCOc1c(N2CCCCC2)cnn(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-3-17-11-10(9-13-14(2)12(11)16)15-7-5-4-6-8-15/h9H,3-8H2,1-2H3
InChIKeyULQHUOUEXKEEEF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds3

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

4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 12550757) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID12550757
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCCOc1c(N2CCCCC2)cnn(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-3-17-11-10(9-13-14(2)12(11)16)15-7-5-4-6-8-15/h9H,3-8H2,1-2H3
InChIKeyULQHUOUEXKEEEF-UHFFFAOYSA-N
XLogP1.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
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-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one (CID 12550757) is 4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one is CCOc1c(N2CCCCC2)cnn(C)c1=O.
What is the InChIKey of 4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is ULQHUOUEXKEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-11-10(9-13-14(2)12(11)16)15-7-5-4-6-8-15/h9H,3-8H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one?
4-ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 1.17, 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-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 12550757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).