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

C17H18N6O2 — CID 71805227

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

2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (PubChem CID 71805227) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
• PubChem CID: 71805227
• Molecular Formula: C17H18N6O2
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.15
• IUPAC Name: 2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
• SMILES: Cc1ccccc1CC(=O)NCCn1nc(-n2cncn2)ccc1=O
• InChI: InChI=1S/C17H18N6O2/c1-13-4-2-3-5-14(13)10-16(24)19-8-9-22-17(25)7-6-15(21-22)23-12-18-11-20-23/h2-7,11-12H,8-10H2,1H3,(H,19,24)
• InChIKey: ZQMNUAMBJUWDNM-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide (CID 71805227) is 2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is Cc1ccccc1CC(=O)NCCn1nc(-n2cncn2)ccc1=O.

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

The InChIKey is ZQMNUAMBJUWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-13-4-2-3-5-14(13)10-16(24)19-8-9-22-17(25)7-6-15(21-22)23-12-18-11-20-23/h2-7,11-12H,8-10H2,1H3,(H,19,24).

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

2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 71805227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).