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

C20H20N6O2 — CID 127447427

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

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 127447427) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 127447427
• Molecular Formula: C20H20N6O2
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.16
• IUPAC Name: N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide
• SMILES: Cc1nnc2ccc(N3CCCC(NC(=O)c4cc5ccccc5o4)C3)nn12
• InChI: InChI=1S/C20H20N6O2/c1-13-22-23-18-8-9-19(24-26(13)18)25-10-4-6-15(12-25)21-20(27)17-11-14-5-2-3-7-16(14)28-17/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3,(H,21,27)
• InChIKey: ACKXIMXCADQDPL-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 88.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide (CID 127447427) is N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide is Cc1nnc2ccc(N3CCCC(NC(=O)c4cc5ccccc5o4)C3)nn12.

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

The InChIKey is ACKXIMXCADQDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-22-23-18-8-9-19(24-26(13)18)25-10-4-6-15(12-25)21-20(27)17-11-14-5-2-3-7-16(14)28-17/h2-3,5,7-9,11,15H,4,6,10,12H2,1H3,(H,21,27).

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

N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 127447427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).