6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one

C14H23N3O — CID 126857329

IUPAC6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one
SMILESCN1CCC(n2nc(C(C)(C)C)ccc2=O)CC1
InChIInChI=1S/C14H23N3O/c1-14(2,3)12-5-6-13(18)17(15-12)11-7-9-16(4)10-8-11/h5-6,11H,7-10H2,1-4H3
InChIKeyYZSSVYFKODJNTH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds1

About 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one

6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one (PubChem CID 126857329) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one
PubChem CID126857329
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one
SMILESCN1CCC(n2nc(C(C)(C)C)ccc2=O)CC1
InChIInChI=1S/C14H23N3O/c1-14(2,3)12-5-6-13(18)17(15-12)11-7-9-16(4)10-8-11/h5-6,11H,7-10H2,1-4H3
InChIKeyYZSSVYFKODJNTH-UHFFFAOYSA-N
XLogP1.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-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 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one (CID 126857329) is 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one is CN1CCC(n2nc(C(C)(C)C)ccc2=O)CC1.
What is the InChIKey of 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one?
The InChIKey is YZSSVYFKODJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)12-5-6-13(18)17(15-12)11-7-9-16(4)10-8-11/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one?
6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one has a molecular weight of 249.36 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methylpiperidin-4-yl)pyridazin-3-one is sourced from PubChem (CID 126857329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).