(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone

C18H21N7O2 — CID 126911488

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (PubChem CID 126911488) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 126911488
• Molecular Formula: C18H21N7O2
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.18
• IUPAC Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
• SMILES: COc1ccc2nnc(C3CCN(C(=O)c4cc(C5CC5)[nH]n4)CC3)n2n1
• InChI: InChI=1S/C18H21N7O2/c1-27-16-5-4-15-21-22-17(25(15)23-16)12-6-8-24(9-7-12)18(26)14-10-13(19-20-14)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,20)
• InChIKey: NPYOBSUNIMCEHT-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 101.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?

The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (CID 126911488) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is COc1ccc2nnc(C3CCN(C(=O)c4cc(C5CC5)[nH]n4)CC3)n2n1.

What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?

The InChIKey is NPYOBSUNIMCEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-27-16-5-4-15-21-22-17(25(15)23-16)12-6-8-24(9-7-12)18(26)14-10-13(19-20-14)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,20).

What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126911488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).