3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide

C14H15N5OS2 — CID 71579011

About 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide

3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide (PubChem CID 71579011) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide
• PubChem CID: 71579011
• Molecular Formula: C14H15N5OS2
• Molecular Weight: 333.44 g/mol
• Exact Mass: 333.07
• IUPAC Name: 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide
• SMILES: CC(C)C(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
• InChI: InChI=1S/C14H15N5OS2/c1-8(2)12(13(15)20)22-11-6-5-10-16-17-14(19(10)18-11)9-4-3-7-21-9/h3-8,12H,1-2H3,(H2,15,20)
• InChIKey: GMEXAVPUBJEDJB-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 86.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.44
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide?

The IUPAC name of 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide (CID 71579011) is 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide.

What is the SMILES notation for 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide?

The canonical SMILES for 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide is CC(C)C(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O.

What is the InChIKey of 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide?

The InChIKey is GMEXAVPUBJEDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-8(2)12(13(15)20)22-11-6-5-10-16-17-14(19(10)18-11)9-4-3-7-21-9/h3-8,12H,1-2H3,(H2,15,20).

What are the key properties of 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide?

3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide has a molecular weight of 333.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide is sourced from PubChem (CID 71579011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).