6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one

C14H10Cl2N4OS — CID 71224554

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one
SMILESCSc1ncc2c(=O)n(-c3c(Cl)cccc3Cl)nc(C)c2n1
InChIInChI=1S/C14H10Cl2N4OS/c1-7-11-8(6-17-14(18-11)22-2)13(21)20(19-7)12-9(15)4-3-5-10(12)16/h3-6H,1-2H3
InChIKeyBMGUVOVPEOQPTR-UHFFFAOYSA-N
MW353.23 g/mol
LogP3.51
Rot. Bonds2

About 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one

6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one (PubChem CID 71224554) has the molecular formula C14H10Cl2N4OS and a molecular weight of 353.23 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one
PubChem CID71224554
Molecular FormulaC14H10Cl2N4OS
Molecular Weight353.23 g/mol
Exact Mass352.00
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one
SMILESCSc1ncc2c(=O)n(-c3c(Cl)cccc3Cl)nc(C)c2n1
InChIInChI=1S/C14H10Cl2N4OS/c1-7-11-8(6-17-14(18-11)22-2)13(21)20(19-7)12-9(15)4-3-5-10(12)16/h3-6H,1-2H3
InChIKeyBMGUVOVPEOQPTR-UHFFFAOYSA-N
XLogP3.51
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-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 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one (CID 71224554) is 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one is CSc1ncc2c(=O)n(-c3c(Cl)cccc3Cl)nc(C)c2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one?
The InChIKey is BMGUVOVPEOQPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4OS/c1-7-11-8(6-17-14(18-11)22-2)13(21)20(19-7)12-9(15)4-3-5-10(12)16/h3-6H,1-2H3.
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one?
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one has a molecular weight of 353.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 71224554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).