2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide

C20H24N6O — CID 134802200

About 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide

2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide (PubChem CID 134802200) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
• PubChem CID: 134802200
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
• SMILES: CC(C)C(=O)NC1CCCN(c2ccc3nnc(-c4ccccc4)n3n2)C1
• InChI: InChI=1S/C20H24N6O/c1-14(2)20(27)21-16-9-6-12-25(13-16)18-11-10-17-22-23-19(26(17)24-18)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3,(H,21,27)
• InChIKey: NEBJRKXAEAQCEL-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide (CID 134802200) is 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide.

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

The canonical SMILES for 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide is CC(C)C(=O)NC1CCCN(c2ccc3nnc(-c4ccccc4)n3n2)C1.

What is the InChIKey of 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide?

The InChIKey is NEBJRKXAEAQCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(2)20(27)21-16-9-6-12-25(13-16)18-11-10-17-22-23-19(26(17)24-18)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,16H,6,9,12-13H2,1-2H3,(H,21,27).

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

2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 134802200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).