1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide

C17H21N7OS — CID 136526259

About 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide

1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 136526259) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide
• PubChem CID: 136526259
• Molecular Formula: C17H21N7OS
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.15
• IUPAC Name: 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide
• SMILES: CC(C)(NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccs1
• InChI: InChI=1S/C17H21N7OS/c1-17(2,13-4-3-11-26-13)18-16(25)12-7-9-23(10-8-12)15-6-5-14-19-21-22-24(14)20-15/h3-6,11-12H,7-10H2,1-2H3,(H,18,25)
• InChIKey: TXHULZCABKAZOB-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide (CID 136526259) is 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide is CC(C)(NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccs1.

What is the InChIKey of 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide?

The InChIKey is TXHULZCABKAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-17(2,13-4-3-11-26-13)18-16(25)12-7-9-23(10-8-12)15-6-5-14-19-21-22-24(14)20-15/h3-6,11-12H,7-10H2,1-2H3,(H,18,25).

What are the key properties of 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide?

1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 136526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).