6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C19H27N5O — CID 126927933

About 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927933) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
• PubChem CID: 126927933
• Molecular Formula: C19H27N5O
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.22
• IUPAC Name: 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
• SMILES: CC(C)(C)c1ccc(=O)n(CC2CN(Cc3cn[nH]c3C3CC3)C2)n1
• InChI: InChI=1S/C19H27N5O/c1-19(2,3)16-6-7-17(25)24(22-16)11-13-9-23(10-13)12-15-8-20-21-18(15)14-4-5-14/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,20,21)
• InChIKey: RCGHYHOCYDAIEA-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

The IUPAC name of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927933) is 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

The canonical SMILES for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(Cc3cn[nH]c3C3CC3)C2)n1.

What is the InChIKey of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

The InChIKey is RCGHYHOCYDAIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)16-6-7-17(25)24(22-16)11-13-9-23(10-13)12-15-8-20-21-18(15)14-4-5-14/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,20,21).

What are the key properties of 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?

6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 341.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).