1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one

C18H21N7O — CID 126910396

About 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one

1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one (PubChem CID 126910396) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
• PubChem CID: 126910396
• Molecular Formula: C18H21N7O
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.18
• IUPAC Name: 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
• SMILES: Cc1ccc2nnc(C3CCN(c4nccn(C5CC5)c4=O)CC3)n2n1
• InChI: InChI=1S/C18H21N7O/c1-12-2-5-15-20-21-16(25(15)22-12)13-6-9-23(10-7-13)17-18(26)24(11-8-19-17)14-3-4-14/h2,5,8,11,13-14H,3-4,6-7,9-10H2,1H3
• InChIKey: YWLCUTJXPZJEEA-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 81.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

The IUPAC name of 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one (CID 126910396) is 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

The canonical SMILES for 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one is Cc1ccc2nnc(C3CCN(c4nccn(C5CC5)c4=O)CC3)n2n1.

What is the InChIKey of 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

The InChIKey is YWLCUTJXPZJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-2-5-15-20-21-16(25(15)22-12)13-6-9-23(10-7-13)17-18(26)24(11-8-19-17)14-3-4-14/h2,5,8,11,13-14H,3-4,6-7,9-10H2,1H3.

What are the key properties of 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one?

1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 126910396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).