4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one

C16H21N3O — CID 82443911

IUPAC4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one
SMILESCc1ccc(-c2cc(C(C)(C)N)c(=O)n(C)n2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-10-6-7-12(11(2)8-10)14-9-13(16(3,4)17)15(20)19(5)18-14/h6-9H,17H2,1-5H3
InChIKeyPQKCJBRDTQANFY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.26
Rot. Bonds2

About 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one

4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one (PubChem CID 82443911) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one
PubChem CID82443911
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one
SMILESCc1ccc(-c2cc(C(C)(C)N)c(=O)n(C)n2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-10-6-7-12(11(2)8-10)14-9-13(16(3,4)17)15(20)19(5)18-14/h6-9H,17H2,1-5H3
InChIKeyPQKCJBRDTQANFY-UHFFFAOYSA-N
XLogP2.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(2,4-dimethylphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoyl chloride
CID 82443918
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
CID 82444814
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897645
6-(2,4-dimethylphenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446675
3-(2,4-dimethylphenyl)-1-phenylpyrazol-5-amine
CID 43336745
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
CID 82444815
4-[amino-(2,4-dimethylphenyl)methyl]-6-tert-butyl-2-methylpyridazin-3-one
CID 82443524
3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82488597
4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one
CID 82447084
6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 82294357
4-(butylaminomethyl)-6-(2,5-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443960

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one (CID 82443911) is 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one is Cc1ccc(-c2cc(C(C)(C)N)c(=O)n(C)n2)c(C)c1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one?
The InChIKey is PQKCJBRDTQANFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-6-7-12(11(2)8-10)14-9-13(16(3,4)17)15(20)19(5)18-14/h6-9H,17H2,1-5H3.
What are the key properties of 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one?
4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-6-(2,4-dimethylphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82443911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).