4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one

C9H4Cl4N4O2 — CID 10593364

IUPAC4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H4Cl4N4O2/c10-4-1-14-16(8(18)6(4)12)3-17-9(19)7(13)5(11)2-15-17/h1-2H,3H2
InChIKeyJNULIMWTSASQPS-UHFFFAOYSA-N
MW341.97 g/mol
LogP1.92
Rot. Bonds2

About 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one

4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one (PubChem CID 10593364) has the molecular formula C9H4Cl4N4O2 and a molecular weight of 341.97 g/mol. Its IUPAC name is 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one
PubChem CID10593364
Molecular FormulaC9H4Cl4N4O2
Molecular Weight341.97 g/mol
Exact Mass339.91
IUPAC Name4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H4Cl4N4O2/c10-4-1-14-16(8(18)6(4)12)3-17-9(19)7(13)5(11)2-15-17/h1-2H,3H2
InChIKeyJNULIMWTSASQPS-UHFFFAOYSA-N
XLogP1.92
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.97
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one (CID 10593364) is 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one?
The InChIKey is JNULIMWTSASQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl4N4O2/c10-4-1-14-16(8(18)6(4)12)3-17-9(19)7(13)5(11)2-15-17/h1-2H,3H2.
What are the key properties of 4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one has a molecular weight of 341.97 g/mol, XLogP of 1.92, 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-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 10593364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).