2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone

C20H25N7O — CID 126912797

About 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone (PubChem CID 126912797) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
• PubChem CID: 126912797
• Molecular Formula: C20H25N7O
• Molecular Weight: 379.47 g/mol
• Exact Mass: 379.21
• IUPAC Name: 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
• SMILES: O=C(CC1CCCC1)N1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1
• InChI: InChI=1S/C20H25N7O/c28-19(14-15-4-1-2-5-15)25-12-8-16(9-13-25)20-23-22-17-6-7-18(24-27(17)20)26-11-3-10-21-26/h3,6-7,10-11,15-16H,1-2,4-5,8-9,12-14H2
• InChIKey: LHADCWHAGBUFIY-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 81.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.47
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone (CID 126912797) is 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1.

What is the InChIKey of 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone?

The InChIKey is LHADCWHAGBUFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c28-19(14-15-4-1-2-5-15)25-12-8-16(9-13-25)20-23-22-17-6-7-18(24-27(17)20)26-11-3-10-21-26/h3,6-7,10-11,15-16H,1-2,4-5,8-9,12-14H2.

What are the key properties of 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone?

2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 379.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126912797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).