6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one

C19H21N9O — CID 126930027

About 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126930027) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one
• PubChem CID: 126930027
• Molecular Formula: C19H21N9O
• Molecular Weight: 391.44 g/mol
• Exact Mass: 391.19
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccc5nnc(C)n5n4)C3)n2)n1
• InChI: InChI=1S/C19H21N9O/c1-12-8-13(2)27(22-12)18-6-7-19(29)26(23-18)11-15-9-25(10-15)17-5-4-16-21-20-14(3)28(16)24-17/h4-8,15H,9-11H2,1-3H3
• InChIKey: WPDMJSWTUZOZLC-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 99.03 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.44
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126930027) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccc5nnc(C)n5n4)C3)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one?

The InChIKey is WPDMJSWTUZOZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-12-8-13(2)27(22-12)18-6-7-19(29)26(23-18)11-15-9-25(10-15)17-5-4-16-21-20-14(3)28(16)24-17/h4-8,15H,9-11H2,1-3H3.

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one?

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 391.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126930027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).