4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one

C14H16ClN3O — CID 117094759

IUPAC4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)cc(-n2ncc(N(C)C)c(Cl)c2=O)c1
InChIInChI=1S/C14H16ClN3O/c1-9-5-10(2)7-11(6-9)18-14(19)13(15)12(8-16-18)17(3)4/h5-8H,1-4H3
InChIKeyMCFOOTGYWAZLFW-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.57
Rot. Bonds2

About 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one

4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one (PubChem CID 117094759) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one
PubChem CID117094759
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)cc(-n2ncc(N(C)C)c(Cl)c2=O)c1
InChIInChI=1S/C14H16ClN3O/c1-9-5-10(2)7-11(6-9)18-14(19)13(15)12(8-16-18)17(3)4/h5-8H,1-4H3
InChIKeyMCFOOTGYWAZLFW-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one (CID 117094759) is 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one is Cc1cc(C)cc(-n2ncc(N(C)C)c(Cl)c2=O)c1.
What is the InChIKey of 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one?
The InChIKey is MCFOOTGYWAZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-5-10(2)7-11(6-9)18-14(19)13(15)12(8-16-18)17(3)4/h5-8H,1-4H3.
What are the key properties of 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one?
4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one has a molecular weight of 277.76 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(dimethylamino)-2-(3,5-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 117094759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).