2-methyl-4-thiophen-2-ylphthalazin-1-one

C13H10N2OS — CID 17487388

IUPAC2-methyl-4-thiophen-2-ylphthalazin-1-one
SMILESCn1nc(-c2cccs2)c2ccccc2c1=O
InChIInChI=1S/C13H10N2OS/c1-15-13(16)10-6-3-2-5-9(10)12(14-15)11-7-4-8-17-11/h2-8H,1H3
InChIKeyMDFRQIPHXVMAPM-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.66
Rot. Bonds1

About 2-methyl-4-thiophen-2-ylphthalazin-1-one

2-methyl-4-thiophen-2-ylphthalazin-1-one (PubChem CID 17487388) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-ylphthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-ylphthalazin-1-one
PubChem CID17487388
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-methyl-4-thiophen-2-ylphthalazin-1-one
SMILESCn1nc(-c2cccs2)c2ccccc2c1=O
InChIInChI=1S/C13H10N2OS/c1-15-13(16)10-6-3-2-5-9(10)12(14-15)11-7-4-8-17-11/h2-8H,1H3
InChIKeyMDFRQIPHXVMAPM-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-thiophen-2-ylphthalazin-1-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 2-methyl-4-thiophen-2-ylphthalazin-1-one?
The IUPAC name of 2-methyl-4-thiophen-2-ylphthalazin-1-one (CID 17487388) is 2-methyl-4-thiophen-2-ylphthalazin-1-one.
What is the SMILES notation for 2-methyl-4-thiophen-2-ylphthalazin-1-one?
The canonical SMILES for 2-methyl-4-thiophen-2-ylphthalazin-1-one is Cn1nc(-c2cccs2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-thiophen-2-ylphthalazin-1-one?
The InChIKey is MDFRQIPHXVMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-15-13(16)10-6-3-2-5-9(10)12(14-15)11-7-4-8-17-11/h2-8H,1H3.
What are the key properties of 2-methyl-4-thiophen-2-ylphthalazin-1-one?
2-methyl-4-thiophen-2-ylphthalazin-1-one has a molecular weight of 242.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-ylphthalazin-1-one is sourced from PubChem (CID 17487388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).