2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one

C11H19N3O — CID 103218576

IUPAC2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)5-6-14-10(15)7-9(12-4)8-13-14/h7-8,12H,5-6H2,1-4H3
InChIKeyXSSCYCOFXBGLBC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.72
Rot. Bonds3

About 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one

2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218576) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218576
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-11(2,3)5-6-14-10(15)7-9(12-4)8-13-14/h7-8,12H,5-6H2,1-4H3
InChIKeyXSSCYCOFXBGLBC-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
4-Chloro-5-(3,3-dimethylbutylamino)-2-methylpyridazin-3-one
CID 47184858
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(Ethylamino)-3,3-dimethylbutyl]pyridazin-3-one
CID 62849594
2-[3,3-Dimethyl-2-(propylamino)butyl]pyridazin-3-one
CID 62850844
2-[2-(3,3-Dimethylbutylamino)ethyl]pyridazin-3-one
CID 62850873
2-(4-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 65247343
5-(Butylamino)-3-pyridazinol
CID 66523135
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}butanamide
CID 70713223

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one (CID 103218576) is 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CCC(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is XSSCYCOFXBGLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)5-6-14-10(15)7-9(12-4)8-13-14/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one?
2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).