4,5,6-trichloro-2-ethylpyridazin-3-one

C6H5Cl3N2O — CID 14032394

IUPAC4,5,6-trichloro-2-ethylpyridazin-3-one
SMILESCCn1nc(Cl)c(Cl)c(Cl)c1=O
InChIInChI=1S/C6H5Cl3N2O/c1-2-11-6(12)4(8)3(7)5(9)10-11/h2H2,1H3
InChIKeyUFQXKYPZRLJRED-UHFFFAOYSA-N
MW227.48 g/mol
LogP2.22
Rot. Bonds1

About 4,5,6-trichloro-2-ethylpyridazin-3-one

4,5,6-trichloro-2-ethylpyridazin-3-one (PubChem CID 14032394) has the molecular formula C6H5Cl3N2O and a molecular weight of 227.48 g/mol. Its IUPAC name is 4,5,6-trichloro-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4,5,6-trichloro-2-ethylpyridazin-3-one
PubChem CID14032394
Molecular FormulaC6H5Cl3N2O
Molecular Weight227.48 g/mol
Exact Mass225.95
IUPAC Name4,5,6-trichloro-2-ethylpyridazin-3-one
SMILESCCn1nc(Cl)c(Cl)c(Cl)c1=O
InChIInChI=1S/C6H5Cl3N2O/c1-2-11-6(12)4(8)3(7)5(9)10-11/h2H2,1H3
InChIKeyUFQXKYPZRLJRED-UHFFFAOYSA-N
XLogP2.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trichloro-2-ethylpyridazin-3-one?
The IUPAC name of 4,5,6-trichloro-2-ethylpyridazin-3-one (CID 14032394) is 4,5,6-trichloro-2-ethylpyridazin-3-one.
What is the SMILES notation for 4,5,6-trichloro-2-ethylpyridazin-3-one?
The canonical SMILES for 4,5,6-trichloro-2-ethylpyridazin-3-one is CCn1nc(Cl)c(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5,6-trichloro-2-ethylpyridazin-3-one?
The InChIKey is UFQXKYPZRLJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3N2O/c1-2-11-6(12)4(8)3(7)5(9)10-11/h2H2,1H3.
What are the key properties of 4,5,6-trichloro-2-ethylpyridazin-3-one?
4,5,6-trichloro-2-ethylpyridazin-3-one has a molecular weight of 227.48 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trichloro-2-ethylpyridazin-3-one is sourced from PubChem (CID 14032394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).