4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one

C13H12Cl2N2O — CID 2662480

IUPAC4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1ccc(C)c(Cn2ncc(Cl)c(Cl)c2=O)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-3-4-9(2)10(5-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3
InChIKeyGNZSTYCQWLRYAF-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.22
Rot. Bonds2

About 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one

4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one (PubChem CID 2662480) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
PubChem CID2662480
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
SMILESCc1ccc(C)c(Cn2ncc(Cl)c(Cl)c2=O)c1
InChIInChI=1S/C13H12Cl2N2O/c1-8-3-4-9(2)10(5-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3
InChIKeyGNZSTYCQWLRYAF-UHFFFAOYSA-N
XLogP3.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-3-methylbenzonitrile
CID 114485136
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
4,5-dichloro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 114386479
4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one
CID 47293660
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2585015
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572
1-(3-chlorophenyl)-6-[(2,5-dimethylphenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846315
4,5-dichloro-2-[[3-(methyliminomethyl)phenyl]methyl]pyridazin-3-one
CID 129267608
4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386429

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one (CID 2662480) is 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one is Cc1ccc(C)c(Cn2ncc(Cl)c(Cl)c2=O)c1.
What is the InChIKey of 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
The InChIKey is GNZSTYCQWLRYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-3-4-9(2)10(5-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one has a molecular weight of 283.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 2662480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).