4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one

C14H25N3O — CID 82443362

IUPAC4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(C(C)C)cc(C(C)(C)N)c1=O
InChIInChI=1S/C14H25N3O/c1-9(2)8-17-13(18)11(14(5,6)15)7-12(16-17)10(3)4/h7,9-10H,8,15H2,1-6H3
InChIKeyHVAVGLMGZYMRHP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.22
Rot. Bonds4

About 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one

4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 82443362) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
PubChem CID82443362
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(C(C)C)cc(C(C)(C)N)c1=O
InChIInChI=1S/C14H25N3O/c1-9(2)8-17-13(18)11(14(5,6)15)7-12(16-17)10(3)4/h7,9-10H,8,15H2,1-6H3
InChIKeyHVAVGLMGZYMRHP-UHFFFAOYSA-N
XLogP2.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442880
4-(bromomethyl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443355
5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 178050223
5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 66021366
2-(2-methylpropyl)-4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-6-propan-2-ylpyridazin-3-one
CID 82443366
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
2-[6-tert-butyl-2-(2-methylpropyl)-3-oxopyridazin-4-yl]acetyl chloride
CID 82443676
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442860
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one (CID 82443362) is 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one is CC(C)Cn1nc(C(C)C)cc(C(C)(C)N)c1=O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is HVAVGLMGZYMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(2)8-17-13(18)11(14(5,6)15)7-12(16-17)10(3)4/h7,9-10H,8,15H2,1-6H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one?
4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.22, 4 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)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).