2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide

C15H20N6O2S — CID 71805232

About 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide

2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (PubChem CID 71805232) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
• PubChem CID: 71805232
• Molecular Formula: C15H20N6O2S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.14
• IUPAC Name: 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
• SMILES: O=C(CSC1CCCC1)NCCn1nc(-n2cncn2)ccc1=O
• InChI: InChI=1S/C15H20N6O2S/c22-14(9-24-12-3-1-2-4-12)17-7-8-20-15(23)6-5-13(19-20)21-11-16-10-18-21/h5-6,10-12H,1-4,7-9H2,(H,17,22)
• InChIKey: QGHZXTALNBSJBC-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?

The IUPAC name of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (CID 71805232) is 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?

The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is O=C(CSC1CCCC1)NCCn1nc(-n2cncn2)ccc1=O.

What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?

The InChIKey is QGHZXTALNBSJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c22-14(9-24-12-3-1-2-4-12)17-7-8-20-15(23)6-5-13(19-20)21-11-16-10-18-21/h5-6,10-12H,1-4,7-9H2,(H,17,22).

What are the key properties of 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide?

2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 71805232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).