5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one

C12H19N3O2 — CID 114396061

IUPAC5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)10(16)8-15-11(17)6-9(7-13-15)14(4)5/h6-7H,8H2,1-5H3
InChIKeyGOJHBZSKFPLSOK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.92
Rot. Bonds3

About 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one

5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one (PubChem CID 114396061) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one
PubChem CID114396061
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)10(16)8-15-11(17)6-9(7-13-15)14(4)5/h6-7H,8H2,1-5H3
InChIKeyGOJHBZSKFPLSOK-UHFFFAOYSA-N
XLogP0.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one (CID 114396061) is 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one is CN(C)c1cnn(CC(=O)C(C)(C)C)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
The InChIKey is GOJHBZSKFPLSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)10(16)8-15-11(17)6-9(7-13-15)14(4)5/h6-7H,8H2,1-5H3.
What are the key properties of 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one?
5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one is sourced from PubChem (CID 114396061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).