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

C19H15ClN6OS — CID 7190482

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

N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190482) has the molecular formula C19H15ClN6OS and a molecular weight of 410.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• PubChem CID: 7190482
• Molecular Formula: C19H15ClN6OS
• Molecular Weight: 410.89 g/mol
• Exact Mass: 410.07
• IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1Cl
• InChI: InChI=1S/C19H15ClN6OS/c1-12-5-6-13(10-14(12)20)22-17(27)11-28-18-8-7-16-23-24-19(26(16)25-18)15-4-2-3-9-21-15/h2-10H,11H2,1H3,(H,22,27)
• InChIKey: INLNGRMDGFHCKV-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.89
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190482) is N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1Cl.

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

The InChIKey is INLNGRMDGFHCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6OS/c1-12-5-6-13(10-14(12)20)22-17(27)11-28-18-8-7-16-23-24-19(26(16)25-18)15-4-2-3-9-21-15/h2-10H,11H2,1H3,(H,22,27).

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

N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 410.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).