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

C14H23N3O2 — CID 114396272

IUPAC2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-6-7-16(5)11-8-13(19)17(15-9-11)10-12(18)14(2,3)4/h8-9H,6-7,10H2,1-5H3
InChIKeyCWGSAEYIZGCJGU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.70
Rot. Bonds5

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

2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114396272) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114396272
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-6-7-16(5)11-8-13(19)17(15-9-11)10-12(18)14(2,3)4/h8-9H,6-7,10H2,1-5H3
InChIKeyCWGSAEYIZGCJGU-UHFFFAOYSA-N
XLogP1.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.70
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-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one (CID 114396272) is 2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is CWGSAEYIZGCJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-7-16(5)11-8-13(19)17(15-9-11)10-12(18)14(2,3)4/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one?
2-(3,3-dimethyl-2-oxobutyl)-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.70, 5 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-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).