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

C18H21N7O — CID 126912802

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

cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (PubChem CID 126912802) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 126912802
• Molecular Formula: C18H21N7O
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.18
• IUPAC Name: cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• SMILES: O=C(C1CCC1)N1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1
• InChI: InChI=1S/C18H21N7O/c26-18(14-3-1-4-14)23-11-7-13(8-12-23)17-21-20-15-5-6-16(22-25(15)17)24-10-2-9-19-24/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2
• InChIKey: WEISIHHWXOTLCR-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 81.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (CID 126912802) is cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1.

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

The InChIKey is WEISIHHWXOTLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c26-18(14-3-1-4-14)23-11-7-13(8-12-23)17-21-20-15-5-6-16(22-25(15)17)24-10-2-9-19-24/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2.

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

cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126912802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).