2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide

C23H25N5OS — CID 8608320

About 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide

2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (PubChem CID 8608320) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.

Molecular Properties

• Compound Name: 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
• PubChem CID: 8608320
• Molecular Formula: C23H25N5OS
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.18
• IUPAC Name: 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
• SMILES: CCCC(CCC)C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1
• InChI: InChI=1S/C23H25N5OS/c1-3-7-16(8-4-2)23(29)24-18-10-5-9-17(15-18)19-12-13-21-25-26-22(28(21)27-19)20-11-6-14-30-20/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,24,29)
• InChIKey: YCIANZJFJMQEKQ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?

The IUPAC name of 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide (CID 8608320) is 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide.

What is the SMILES notation for 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?

The canonical SMILES for 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is CCCC(CCC)C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1.

What is the InChIKey of 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?

The InChIKey is YCIANZJFJMQEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-3-7-16(8-4-2)23(29)24-18-10-5-9-17(15-18)19-12-13-21-25-26-22(28(21)27-19)20-11-6-14-30-20/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,24,29).

What are the key properties of 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide?

2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide has a molecular weight of 419.55 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide is sourced from PubChem (CID 8608320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).