6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one

C19H25N7O — CID 126930177

About 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126930177) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
• PubChem CID: 126930177
• Molecular Formula: C19H25N7O
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.21
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CC3CN(CCc4ccnn4C)C3)n2)n1
• InChI: InChI=1S/C19H25N7O/c1-14-10-15(2)26(21-14)18-4-5-19(27)25(22-18)13-16-11-24(12-16)9-7-17-6-8-20-23(17)3/h4-6,8,10,16H,7,9,11-13H2,1-3H3
• InChIKey: KKBGWOAFUCFPJO-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 73.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126930177) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(CCc4ccnn4C)C3)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one?

The InChIKey is KKBGWOAFUCFPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-14-10-15(2)26(21-14)18-4-5-19(27)25(22-18)13-16-11-24(12-16)9-7-17-6-8-20-23(17)3/h4-6,8,10,16H,7,9,11-13H2,1-3H3.

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one?

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 367.46 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126930177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).