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

C16H21N5O — CID 126927480

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

6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927480) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
• PubChem CID: 126927480
• Molecular Formula: C16H21N5O
• Molecular Weight: 299.38 g/mol
• Exact Mass: 299.17
• IUPAC Name: 6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
• SMILES: Cc1cc(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)n[nH]1
• InChI: InChI=1S/C16H21N5O/c1-11-6-14(18-17-11)10-20-7-12(8-20)9-21-16(22)5-4-15(19-21)13-2-3-13/h4-6,12-13H,2-3,7-10H2,1H3,(H,17,18)
• InChIKey: SDMWPIOJNCGRNQ-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.38
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927480) is 6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

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

The canonical SMILES for 6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(CN2CC(Cn3nc(C4CC4)ccc3=O)C2)n[nH]1.

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

The InChIKey is SDMWPIOJNCGRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-6-14(18-17-11)10-20-7-12(8-20)9-21-16(22)5-4-15(19-21)13-2-3-13/h4-6,12-13H,2-3,7-10H2,1H3,(H,17,18).

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

6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 299.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).