N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

C19H16N6OS — CID 7532017

About N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (PubChem CID 7532017) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
• PubChem CID: 7532017
• Molecular Formula: C19H16N6OS
• Molecular Weight: 376.45 g/mol
• Exact Mass: 376.11
• IUPAC Name: N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
• SMILES: Cc1cccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)c1
• InChI: InChI=1S/C19H16N6OS/c1-13-4-2-6-15(10-13)21-18(26)12-27-19-23-22-17-8-7-16(24-25(17)19)14-5-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,26)
• InChIKey: NHFSERBDTCZJMA-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 85.07 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	376.45
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (CID 7532017) is N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn23)c1.

What is the InChIKey of N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

The InChIKey is NHFSERBDTCZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-13-4-2-6-15(10-13)21-18(26)12-27-19-23-22-17-8-7-16(24-25(17)19)14-5-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,26).

What are the key properties of N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-2-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7532017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).