5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one

C15H18FN3O3 — CID 72911192

IUPAC5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cc(F)c(Cn2ncc(N(C)C)cc2=O)cc1OC
InChIInChI=1S/C15H18FN3O3/c1-18(2)11-6-15(20)19(17-8-11)9-10-5-13(21-3)14(22-4)7-12(10)16/h5-8H,9H2,1-4H3
InChIKeyYXEKILVWFSGISB-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.51
Rot. Bonds5

About 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one

5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one (PubChem CID 72911192) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one
PubChem CID72911192
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cc(F)c(Cn2ncc(N(C)C)cc2=O)cc1OC
InChIInChI=1S/C15H18FN3O3/c1-18(2)11-6-15(20)19(17-8-11)9-10-5-13(21-3)14(22-4)7-12(10)16/h5-8H,9H2,1-4H3
InChIKeyYXEKILVWFSGISB-UHFFFAOYSA-N
XLogP1.51
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one (CID 72911192) is 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one is COc1cc(F)c(Cn2ncc(N(C)C)cc2=O)cc1OC.
What is the InChIKey of 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is YXEKILVWFSGISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-18(2)11-6-15(20)19(17-8-11)9-10-5-13(21-3)14(22-4)7-12(10)16/h5-8H,9H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one?
5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 307.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(2-fluoro-4,5-dimethoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 72911192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).