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

C19H19N7O2 — CID 20957116

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

3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 20957116) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide
• PubChem CID: 20957116
• Molecular Formula: C19H19N7O2
• Molecular Weight: 377.41 g/mol
• Exact Mass: 377.16
• IUPAC Name: 3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide
• SMILES: Cc1cccnc1NC(=O)CCc1nnc2ccc(NCc3ccco3)nn12
• InChI: InChI=1S/C19H19N7O2/c1-13-4-2-10-20-19(13)22-18(27)9-8-17-24-23-16-7-6-15(25-26(16)17)21-12-14-5-3-11-28-14/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)(H,20,22,27)
• InChIKey: GPKTXKBEXCAJEF-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 110.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.41
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide (CID 20957116) is 3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide.

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

The canonical SMILES for 3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)CCc1nnc2ccc(NCc3ccco3)nn12.

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

The InChIKey is GPKTXKBEXCAJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-13-4-2-10-20-19(13)22-18(27)9-8-17-24-23-16-7-6-15(25-26(16)17)21-12-14-5-3-11-28-14/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)(H,20,22,27).

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

3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 377.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 20957116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).