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

C7H5ClN4OS — CID 62849424

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1nnsc1Cl
InChIInChI=1S/C7H5ClN4OS/c8-7-5(10-11-14-7)4-12-6(13)2-1-3-9-12/h1-3H,4H2
InChIKeyVMSIIWZCTYQDND-UHFFFAOYSA-N
MW228.66 g/mol
LogP0.80
Rot. Bonds2

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

2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one (PubChem CID 62849424) has the molecular formula C7H5ClN4OS and a molecular weight of 228.66 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
PubChem CID62849424
Molecular FormulaC7H5ClN4OS
Molecular Weight228.66 g/mol
Exact Mass227.99
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1nnsc1Cl
InChIInChI=1S/C7H5ClN4OS/c8-7-5(10-11-14-7)4-12-6(13)2-1-3-9-12/h1-3H,4H2
InChIKeyVMSIIWZCTYQDND-UHFFFAOYSA-N
XLogP0.80
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chlorothiadiazol-4-yl)methyl]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]pyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one (CID 62849424) is 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one is O=c1cccnn1Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one?
The InChIKey is VMSIIWZCTYQDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4OS/c8-7-5(10-11-14-7)4-12-6(13)2-1-3-9-12/h1-3H,4H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one has a molecular weight of 228.66 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 62849424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).