3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide

About 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide

3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 20903731) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name	3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID	20903731
Molecular Formula	C20H32N6O2
Molecular Weight	388.52 g/mol
Exact Mass	388.26
IUPAC Name	3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILES	CC1CCN(c2ccc3nnc(CCC(=O)NCCCOC(C)C)n3n2)CC1
InChI	InChI=1S/C20H32N6O2/c1-15(2)28-14-4-11-21-20(27)8-7-18-23-22-17-5-6-19(24-26(17)18)25-12-9-16(3)10-13-25/h5-6,15-16H,4,7-14H2,1-3H3,(H,21,27)
InChIKey	MEFCKSBVODCKAK-UHFFFAOYSA-N
XLogP	2.22
TPSA	84.65 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?

The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide (CID 20903731) is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide.

What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?

The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide is CC1CCN(c2ccc3nnc(CCC(=O)NCCCOC(C)C)n3n2)CC1.

What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?

The InChIKey is MEFCKSBVODCKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-15(2)28-14-4-11-21-20(27)8-7-18-23-22-17-5-6-19(24-26(17)18)25-12-9-16(3)10-13-25/h5-6,15-16H,4,7-14H2,1-3H3,(H,21,27).

What are the key properties of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide?

3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 388.52 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 20903731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).