4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one

C16H17N3O — CID 155914465

IUPAC4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one
SMILESCc1cnnc(-c2ccc(C3CNC(=O)C3)cc2)c1C
InChIInChI=1S/C16H17N3O/c1-10-8-18-19-16(11(10)2)13-5-3-12(4-6-13)14-7-15(20)17-9-14/h3-6,8,14H,7,9H2,1-2H3,(H,17,20)
InChIKeyMGDPJBKCJKHJHX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.36
Rot. Bonds2

About 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one

4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one (PubChem CID 155914465) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one
PubChem CID155914465
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one
SMILESCc1cnnc(-c2ccc(C3CNC(=O)C3)cc2)c1C
InChIInChI=1S/C16H17N3O/c1-10-8-18-19-16(11(10)2)13-5-3-12(4-6-13)14-7-15(20)17-9-14/h3-6,8,14H,7,9H2,1-2H3,(H,17,20)
InChIKeyMGDPJBKCJKHJHX-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-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 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one (CID 155914465) is 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one is Cc1cnnc(-c2ccc(C3CNC(=O)C3)cc2)c1C.
What is the InChIKey of 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one?
The InChIKey is MGDPJBKCJKHJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-8-18-19-16(11(10)2)13-5-3-12(4-6-13)14-7-15(20)17-9-14/h3-6,8,14H,7,9H2,1-2H3,(H,17,20).
What are the key properties of 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one?
4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155914465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).