N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C19H23N7O — CID 20903992

About N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20903992) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
• PubChem CID: 20903992
• Molecular Formula: C19H23N7O
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.20
• IUPAC Name: N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
• SMILES: Cc1cccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)n1
• InChI: InChI=1S/C19H23N7O/c1-14-6-5-7-15(20-14)21-19(27)11-10-17-23-22-16-8-9-18(24-26(16)17)25-12-3-2-4-13-25/h5-9H,2-4,10-13H2,1H3,(H,20,21,27)
• InChIKey: HMVGYVRLJAXZNE-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20903992) is N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

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

The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is Cc1cccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)n1.

What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?

The InChIKey is HMVGYVRLJAXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-6-5-7-15(20-14)21-19(27)11-10-17-23-22-16-8-9-18(24-26(16)17)25-12-3-2-4-13-25/h5-9H,2-4,10-13H2,1H3,(H,20,21,27).

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

N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 365.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20903992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).