2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one

C16H18N4O2 — CID 72853306

IUPAC2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2Cc3ccccc3C2)c(=O)c1
InChIInChI=1S/C16H18N4O2/c1-18(2)14-7-15(21)20(17-8-14)11-16(22)19-9-12-5-3-4-6-13(12)10-19/h3-8H,9-11H2,1-2H3
InChIKeyGRXXNIIJFZASKX-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.85
Rot. Bonds3

About 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one

2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 72853306) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID72853306
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2Cc3ccccc3C2)c(=O)c1
InChIInChI=1S/C16H18N4O2/c1-18(2)14-7-15(21)20(17-8-14)11-16(22)19-9-12-5-3-4-6-13(12)10-19/h3-8H,9-11H2,1-2H3
InChIKeyGRXXNIIJFZASKX-UHFFFAOYSA-N
XLogP0.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one (CID 72853306) is 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC(=O)N2Cc3ccccc3C2)c(=O)c1.
What is the InChIKey of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is GRXXNIIJFZASKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-18(2)14-7-15(21)20(17-8-14)11-16(22)19-9-12-5-3-4-6-13(12)10-19/h3-8H,9-11H2,1-2H3.
What are the key properties of 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 298.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 72853306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).