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

C18H19N5O2S — CID 125432598

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

N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 125432598) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• PubChem CID: 125432598
• Molecular Formula: C18H19N5O2S
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.13
• IUPAC Name: N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• SMILES: CC(=O)c1cccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)c1
• InChI: InChI=1S/C18H19N5O2S/c1-11(2)18-21-20-15-7-8-17(22-23(15)18)26-10-16(25)19-14-6-4-5-13(9-14)12(3)24/h4-9,11H,10H2,1-3H3,(H,19,25)
• InChIKey: OPUHSXYCHNSXJH-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 125432598) is N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is CC(=O)c1cccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)c1.

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

The InChIKey is OPUHSXYCHNSXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11(2)18-21-20-15-7-8-17(22-23(15)18)26-10-16(25)19-14-6-4-5-13(9-14)12(3)24/h4-9,11H,10H2,1-3H3,(H,19,25).

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

N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 125432598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).