[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone

C22H23N7O — CID 126911837

About [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone

[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 126911837) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

• Compound Name: [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone
• PubChem CID: 126911837
• Molecular Formula: C22H23N7O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.20
• IUPAC Name: [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone
• SMILES: CN(C)c1ccc2nnc(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)n2n1
• InChI: InChI=1S/C22H23N7O/c1-27(2)20-10-9-19-24-25-21(29(19)26-20)16-11-13-28(14-12-16)22(30)18-8-7-15-5-3-4-6-17(15)23-18/h3-10,16H,11-14H2,1-2H3
• InChIKey: DHFDRXBFJKFNEN-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 79.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

The IUPAC name of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone (CID 126911837) is [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone.

What is the SMILES notation for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

The canonical SMILES for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone is CN(C)c1ccc2nnc(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)n2n1.

What is the InChIKey of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

The InChIKey is DHFDRXBFJKFNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-27(2)20-10-9-19-24-25-21(29(19)26-20)16-11-13-28(14-12-16)22(30)18-8-7-15-5-3-4-6-17(15)23-18/h3-10,16H,11-14H2,1-2H3.

What are the key properties of [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone?

[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 401.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 126911837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).