4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one

C15H15N3O3 — CID 170220326

About 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one

4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one (PubChem CID 170220326) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
• PubChem CID: 170220326
• Molecular Formula: C15H15N3O3
• Molecular Weight: 285.30 g/mol
• Exact Mass: 285.11
• IUPAC Name: 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
• SMILES: Cc1c(N2Cc3c#cc(OCCO)cc3C2)cn[nH]c1=O
• InChI: InChI=1S/C15H15N3O3/c1-10-14(7-16-17-15(10)20)18-8-11-2-3-13(21-5-4-19)6-12(11)9-18/h6-7,19H,4-5,8-9H2,1H3,(H,17,20)
• InChIKey: NQMOSFAFEVZCJG-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 78.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.30
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?

The IUPAC name of 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one (CID 170220326) is 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one.

What is the SMILES notation for 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?

The canonical SMILES for 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one is Cc1c(N2Cc3c#cc(OCCO)cc3C2)cn[nH]c1=O.

What is the InChIKey of 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?

The InChIKey is NQMOSFAFEVZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-14(7-16-17-15(10)20)18-8-11-2-3-13(21-5-4-19)6-12(11)9-18/h6-7,19H,4-5,8-9H2,1H3,(H,17,20).

What are the key properties of 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one?

4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one has a molecular weight of 285.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 170220326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).