5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

C17H19F3N4O2 — CID 154825889

IUPAC5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESCN(C)CCOc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C17H19F3N4O2/c1-23(2)6-7-26-14-5-3-4-11-9-24(10-12(11)14)13-8-21-22-16(25)15(13)17(18,19)20/h3-5,8,15H,6-7,9-10H2,1-2H3
InChIKeyOCUVSUCROLKVCK-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.95
Rot. Bonds5

About 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (PubChem CID 154825889) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
PubChem CID154825889
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESCN(C)CCOc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C17H19F3N4O2/c1-23(2)6-7-26-14-5-3-4-11-9-24(10-12(11)14)13-8-21-22-16(25)15(13)17(18,19)20/h3-5,8,15H,6-7,9-10H2,1-2H3
InChIKeyOCUVSUCROLKVCK-UHFFFAOYSA-N
XLogP2.95
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (CID 154825889) is 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is CN(C)CCOc1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The InChIKey is OCUVSUCROLKVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-23(2)6-7-26-14-5-3-4-11-9-24(10-12(11)14)13-8-21-22-16(25)15(13)17(18,19)20/h3-5,8,15H,6-7,9-10H2,1-2H3.
What are the key properties of 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one has a molecular weight of 368.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is sourced from PubChem (CID 154825889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).