2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one

C11H19N3O — CID 106548563

IUPAC2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(N)C(C)(C)C)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-8-5-10(15)14(13-6-8)7-9(12)11(2,3)4/h5-6,9H,7,12H2,1-4H3
InChIKeyFJOZJCVIEDTWIF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds2

About 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one

2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one (PubChem CID 106548563) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
PubChem CID106548563
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(N)C(C)(C)C)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-8-5-10(15)14(13-6-8)7-9(12)11(2,3)4/h5-6,9H,7,12H2,1-4H3
InChIKeyFJOZJCVIEDTWIF-UHFFFAOYSA-N
XLogP0.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopentyl)-5-methylpyridazin-3-one
CID 106548547
2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548613
2-(2-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394768
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
2-[3-methoxy-3-methyl-2-(methylamino)butyl]-5-methylpyridazin-3-one
CID 114228634
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
CID 107523246
2-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpyridazin-3-one
CID 106549204
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
2-(3-hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
2-acetamido-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548377
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one (CID 106548563) is 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one is Cc1cnn(CC(N)C(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The InChIKey is FJOZJCVIEDTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-5-10(15)14(13-6-8)7-9(12)11(2,3)4/h5-6,9H,7,12H2,1-4H3.
What are the key properties of 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).