2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one

C10H17N3O — CID 65247343

IUPAC2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(CN)CCn1ncccc1=O
InChIInChI=1S/C10H17N3O/c1-10(2,8-11)5-7-13-9(14)4-3-6-12-13/h3-4,6H,5,7-8,11H2,1-2H3
InChIKeyZLVVLSVKJCEXOP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.62
Rot. Bonds4

About 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one

2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one (PubChem CID 65247343) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one
PubChem CID65247343
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(CN)CCn1ncccc1=O
InChIInChI=1S/C10H17N3O/c1-10(2,8-11)5-7-13-9(14)4-3-6-12-13/h3-4,6H,5,7-8,11H2,1-2H3
InChIKeyZLVVLSVKJCEXOP-UHFFFAOYSA-N
XLogP0.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-3,3-dimethylbutyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one?
The IUPAC name of 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one (CID 65247343) is 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one?
The canonical SMILES for 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one is CC(C)(CN)CCn1ncccc1=O.
What is the InChIKey of 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one?
The InChIKey is ZLVVLSVKJCEXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,8-11)5-7-13-9(14)4-3-6-12-13/h3-4,6H,5,7-8,11H2,1-2H3.
What are the key properties of 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one?
2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylbutyl)pyridazin-3-one is sourced from PubChem (CID 65247343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).