3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine

C18H19N3O — CID 46226113

IUPAC3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2cc3ccccc3o2)nn1
InChIInChI=1S/C18H19N3O/c1-12-7-8-13(2)21(12)18-10-9-15(19-20-18)17-11-14-5-3-4-6-16(14)22-17/h3-6,9-13H,7-8H2,1-2H3/t12-,13+
InChIKeyZBEYQVWELCVVLY-BETUJISGSA-N
MW293.37 g/mol
LogP4.27
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine

3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine (PubChem CID 46226113) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine
PubChem CID46226113
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine
SMILESC[C@@H]1CC[C@H](C)N1c1ccc(-c2cc3ccccc3o2)nn1
InChIInChI=1S/C18H19N3O/c1-12-7-8-13(2)21(12)18-10-9-15(19-20-18)17-11-14-5-3-4-6-16(14)22-17/h3-6,9-13H,7-8H2,1-2H3/t12-,13+
InChIKeyZBEYQVWELCVVLY-BETUJISGSA-N
XLogP4.27
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine 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 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine?
The IUPAC name of 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine (CID 46226113) is 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine is C[C@@H]1CC[C@H](C)N1c1ccc(-c2cc3ccccc3o2)nn1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine?
The InChIKey is ZBEYQVWELCVVLY-BETUJISGSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-7-8-13(2)21(12)18-10-9-15(19-20-18)17-11-14-5-3-4-6-16(14)22-17/h3-6,9-13H,7-8H2,1-2H3/t12-,13+.
What are the key properties of 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine?
3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine has a molecular weight of 293.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 46226113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).