2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one

C14H14FN3O2 — CID 103218760

About 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218760) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one
• PubChem CID: 103218760
• Molecular Formula: C14H14FN3O2
• Molecular Weight: 275.28 g/mol
• Exact Mass: 275.11
• IUPAC Name: 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one
• SMILES: CNc1cnn(CC2Cc3cc(F)ccc3O2)c(=O)c1
• InChI: InChI=1S/C14H14FN3O2/c1-16-11-6-14(19)18(17-7-11)8-12-5-9-4-10(15)2-3-13(9)20-12/h2-4,6-7,12,16H,5,8H2,1H3
• InChIKey: RNYJLFXFHHMTNX-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.28
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one?

The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218760) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one.

What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one?

The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(CC2Cc3cc(F)ccc3O2)c(=O)c1.

What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one?

The InChIKey is RNYJLFXFHHMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-16-11-6-14(19)18(17-7-11)8-12-5-9-4-10(15)2-3-13(9)20-12/h2-4,6-7,12,16H,5,8H2,1H3.

What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one?

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 275.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).