2-tert-butyl-4,5-dichloropyridazin-3-one

C8H10Cl2N2O — CID 2782225

IUPAC2-tert-butyl-4,5-dichloropyridazin-3-one
SMILESCC(C)(C)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3
InChIKeyANFVZRTXGLHTNI-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.31
Rot. Bonds

About 2-tert-butyl-4,5-dichloropyridazin-3-one

2-tert-butyl-4,5-dichloropyridazin-3-one (PubChem CID 2782225) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4,5-dichloropyridazin-3-one
PubChem CID2782225
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name2-tert-butyl-4,5-dichloropyridazin-3-one
SMILESCC(C)(C)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3
InChIKeyANFVZRTXGLHTNI-UHFFFAOYSA-N
XLogP2.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-tert-butyl-4,5-dichloropyridazin-3-one (CID 2782225) is 2-tert-butyl-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4,5-dichloropyridazin-3-one is CC(C)(C)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4,5-dichloropyridazin-3-one?
The InChIKey is ANFVZRTXGLHTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3.
What are the key properties of 2-tert-butyl-4,5-dichloropyridazin-3-one?
2-tert-butyl-4,5-dichloropyridazin-3-one has a molecular weight of 221.09 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 2782225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).