2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C12H15ClN6OS — CID 114395555

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(Cc3nnsc3Cl)c(=O)c2)CC1
InChIInChI=1S/C12H15ClN6OS/c1-17-2-4-18(5-3-17)9-6-11(20)19(14-7-9)8-10-12(13)21-16-15-10/h6-7H,2-5,8H2,1H3
InChIKeyWMCCYHOZMCQIOW-UHFFFAOYSA-N
MW326.81 g/mol
LogP0.55
Rot. Bonds3

About 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114395555) has the molecular formula C12H15ClN6OS and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID114395555
Molecular FormulaC12H15ClN6OS
Molecular Weight326.81 g/mol
Exact Mass326.07
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(Cc3nnsc3Cl)c(=O)c2)CC1
InChIInChI=1S/C12H15ClN6OS/c1-17-2-4-18(5-3-17)9-6-11(20)19(14-7-9)8-10-12(13)21-16-15-10/h6-7H,2-5,8H2,1H3
InChIKeyWMCCYHOZMCQIOW-UHFFFAOYSA-N
XLogP0.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)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 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 114395555) is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn(Cc3nnsc3Cl)c(=O)c2)CC1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is WMCCYHOZMCQIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6OS/c1-17-2-4-18(5-3-17)9-6-11(20)19(14-7-9)8-10-12(13)21-16-15-10/h6-7H,2-5,8H2,1H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 326.81 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114395555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).