1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C17H21N7OS — CID 29134898

About 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 29134898) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 29134898
• Molecular Formula: C17H21N7OS
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.15
• IUPAC Name: 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4nccs4)CC3)nn12
• InChI: InChI=1S/C17H21N7OS/c1-11(2)15-21-20-13-3-4-14(22-24(13)15)23-8-5-12(6-9-23)16(25)19-17-18-7-10-26-17/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,18,19,25)
• InChIKey: LYDLNXXVNLIGES-UHFFFAOYSA-N
• XLogP: 2.56
• 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	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 29134898) is 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4nccs4)CC3)nn12.

What is the InChIKey of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?

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

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

1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 29134898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).