2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one

C13H21N3O2 — CID 114396188

IUPAC2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-6-15(5)10-7-12(18)16(14-8-10)9-11(17)13(2,3)4/h7-8H,6,9H2,1-5H3
InChIKeyOWIYULQBZZKNIU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one

2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114396188) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114396188
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-6-15(5)10-7-12(18)16(14-8-10)9-11(17)13(2,3)4/h7-8H,6,9H2,1-5H3
InChIKeyOWIYULQBZZKNIU-UHFFFAOYSA-N
XLogP1.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114396188) is 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is OWIYULQBZZKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-15(5)10-7-12(18)16(14-8-10)9-11(17)13(2,3)4/h7-8H,6,9H2,1-5H3.
What are the key properties of 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).