2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one

C18H25N3O — CID 7672173

IUPAC2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
SMILESCCN(CC)CCn1nc(-c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)11-12-21-18(22)10-9-17(19-21)16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyDJMNWAREQNWTDO-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one

2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one (PubChem CID 7672173) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
PubChem CID7672173
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
SMILESCCN(CC)CCn1nc(-c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)11-12-21-18(22)10-9-17(19-21)16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyDJMNWAREQNWTDO-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one (CID 7672173) is 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one is CCN(CC)CCn1nc(-c2cc(C)ccc2C)ccc1=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one?
The InChIKey is DJMNWAREQNWTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-20(6-2)11-12-21-18(22)10-9-17(19-21)16-13-14(3)7-8-15(16)4/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one?
2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one has a molecular weight of 299.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 7672173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).