4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one

C10H8Cl2N4O — CID 2345553

IUPAC4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one
SMILESCc1cc(C)nc(-n2ncc(Cl)c(Cl)c2=O)n1
InChIInChI=1S/C10H8Cl2N4O/c1-5-3-6(2)15-10(14-5)16-9(17)8(12)7(11)4-13-16/h3-4H,1-2H3
InChIKeySPGYQDHYLWCELS-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.95
Rot. Bonds1

About 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one

4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one (PubChem CID 2345553) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one
PubChem CID2345553
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one
SMILESCc1cc(C)nc(-n2ncc(Cl)c(Cl)c2=O)n1
InChIInChI=1S/C10H8Cl2N4O/c1-5-3-6(2)15-10(14-5)16-9(17)8(12)7(11)4-13-16/h3-4H,1-2H3
InChIKeySPGYQDHYLWCELS-UHFFFAOYSA-N
XLogP1.95
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one (CID 2345553) is 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one is Cc1cc(C)nc(-n2ncc(Cl)c(Cl)c2=O)n1.
What is the InChIKey of 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one?
The InChIKey is SPGYQDHYLWCELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c1-5-3-6(2)15-10(14-5)16-9(17)8(12)7(11)4-13-16/h3-4H,1-2H3.
What are the key properties of 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one?
4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one has a molecular weight of 271.11 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4,6-dimethylpyrimidin-2-yl)pyridazin-3-one is sourced from PubChem (CID 2345553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).