4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one

C5H4Cl2N2O — CID 169148338

IUPAC4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one
SMILES[2H]C([2H])([2H])n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3/i1D3
InChIKeyACKBTCUMGAHRIE-FIBGUPNXSA-N
MW182.02 g/mol
LogP1.09
Rot. Bonds1

About 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one

4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one (PubChem CID 169148338) has the molecular formula C5H4Cl2N2O and a molecular weight of 182.02 g/mol. Its IUPAC name is 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one
PubChem CID169148338
Molecular FormulaC5H4Cl2N2O
Molecular Weight182.02 g/mol
Exact Mass180.99
IUPAC Name4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one
SMILES[2H]C([2H])([2H])n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3/i1D3
InChIKeyACKBTCUMGAHRIE-FIBGUPNXSA-N
XLogP1.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dichloro-2-(trideuteriomethyl)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-(trideuteriomethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one (CID 169148338) is 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one is [2H]C([2H])([2H])n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one?
The InChIKey is ACKBTCUMGAHRIE-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3/i1D3.
What are the key properties of 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one?
4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one has a molecular weight of 182.02 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(trideuteriomethyl)pyridazin-3-one is sourced from PubChem (CID 169148338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).