N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C24H31N7O2 — CID 20904134

About N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20904134) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
• PubChem CID: 20904134
• Molecular Formula: C24H31N7O2
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.25
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
• SMILES: O=C(CCc1nnc2ccc(N3CCOCC3)nn12)NC1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C24H31N7O2/c32-24(25-20-10-12-29(13-11-20)18-19-4-2-1-3-5-19)9-8-22-27-26-21-6-7-23(28-31(21)22)30-14-16-33-17-15-30/h1-7,20H,8-18H2,(H,25,32)
• InChIKey: FRYRKDKMADYTFB-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 87.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20904134) is N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

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

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is O=C(CCc1nnc2ccc(N3CCOCC3)nn12)NC1CCN(Cc2ccccc2)CC1.

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

The InChIKey is FRYRKDKMADYTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c32-24(25-20-10-12-29(13-11-20)18-19-4-2-1-3-5-19)9-8-22-27-26-21-6-7-23(28-31(21)22)30-14-16-33-17-15-30/h1-7,20H,8-18H2,(H,25,32).

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

N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 449.56 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20904134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).