4,5-dichloro-2,6-dimethylpyridazin-3-one

C6H6Cl2N2O — CID 22899438

IUPAC4,5-dichloro-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-3-4(7)5(8)6(11)10(2)9-3/h1-2H3
InChIKeyLKVRFJMMQRNDAD-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.40
Rot. Bonds

About 4,5-dichloro-2,6-dimethylpyridazin-3-one

4,5-dichloro-2,6-dimethylpyridazin-3-one (PubChem CID 22899438) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 4,5-dichloro-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2,6-dimethylpyridazin-3-one
PubChem CID22899438
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name4,5-dichloro-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O/c1-3-4(7)5(8)6(11)10(2)9-3/h1-2H3
InChIKeyLKVRFJMMQRNDAD-UHFFFAOYSA-N
XLogP1.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2,6-dimethylpyridazin-3-one (CID 22899438) is 4,5-dichloro-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2,6-dimethylpyridazin-3-one is Cc1nn(C)c(=O)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-2,6-dimethylpyridazin-3-one?
The InChIKey is LKVRFJMMQRNDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-3-4(7)5(8)6(11)10(2)9-3/h1-2H3.
What are the key properties of 4,5-dichloro-2,6-dimethylpyridazin-3-one?
4,5-dichloro-2,6-dimethylpyridazin-3-one has a molecular weight of 193.03 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 22899438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).