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

C7H3Cl3N4OS — CID 47118120

IUPAC4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1nnsc1Cl
InChIInChI=1S/C7H3Cl3N4OS/c8-3-1-11-14(7(15)5(3)9)2-4-6(10)16-13-12-4/h1H,2H2
InChIKeyJKTNAYMXUMRCKA-UHFFFAOYSA-N
MW297.55 g/mol
LogP2.10
Rot. Bonds2

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

4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one (PubChem CID 47118120) has the molecular formula C7H3Cl3N4OS and a molecular weight of 297.55 g/mol. Its IUPAC name is 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
PubChem CID47118120
Molecular FormulaC7H3Cl3N4OS
Molecular Weight297.55 g/mol
Exact Mass295.91
IUPAC Name4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1nnsc1Cl
InChIInChI=1S/C7H3Cl3N4OS/c8-3-1-11-14(7(15)5(3)9)2-4-6(10)16-13-12-4/h1H,2H2
InChIKeyJKTNAYMXUMRCKA-UHFFFAOYSA-N
XLogP2.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.55
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-dichloro-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 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one (CID 47118120) is 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1nnsc1Cl.
What is the InChIKey of 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one?
The InChIKey is JKTNAYMXUMRCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3N4OS/c8-3-1-11-14(7(15)5(3)9)2-4-6(10)16-13-12-4/h1H,2H2.
What are the key properties of 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one has a molecular weight of 297.55 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 47118120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).