2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one

C12H17N3O — CID 141144887

IUPAC2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one
SMILESO=c1c(C2CCNCC2)ccnn1C1CC1
InChIInChI=1S/C12H17N3O/c16-12-11(9-3-6-13-7-4-9)5-8-14-15(12)10-1-2-10/h5,8-10,13H,1-4,6-7H2
InChIKeyATXHLBLJUCDRGM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.05
Rot. Bonds2

About 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one

2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one (PubChem CID 141144887) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one
PubChem CID141144887
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one
SMILESO=c1c(C2CCNCC2)ccnn1C1CC1
InChIInChI=1S/C12H17N3O/c16-12-11(9-3-6-13-7-4-9)5-8-14-15(12)10-1-2-10/h5,8-10,13H,1-4,6-7H2
InChIKeyATXHLBLJUCDRGM-UHFFFAOYSA-N
XLogP1.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one?
The IUPAC name of 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one (CID 141144887) is 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one?
The canonical SMILES for 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one is O=c1c(C2CCNCC2)ccnn1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one?
The InChIKey is ATXHLBLJUCDRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12-11(9-3-6-13-7-4-9)5-8-14-15(12)10-1-2-10/h5,8-10,13H,1-4,6-7H2.
What are the key properties of 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one?
2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one has a molecular weight of 219.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-piperidin-4-ylpyridazin-3-one is sourced from PubChem (CID 141144887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).