4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one

C12H15N3OS — CID 82467637

IUPAC4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C12H15N3OS/c1-8(2)7-15-12(16)9(13)6-10(14-15)11-4-3-5-17-11/h3-6,8H,7,13H2,1-2H3
InChIKeyPZHZEXXNEAXVOL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.21
Rot. Bonds3

About 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one

4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one (PubChem CID 82467637) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
PubChem CID82467637
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C)Cn1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C12H15N3OS/c1-8(2)7-15-12(16)9(13)6-10(14-15)11-4-3-5-17-11/h3-6,8H,7,13H2,1-2H3
InChIKeyPZHZEXXNEAXVOL-UHFFFAOYSA-N
XLogP2.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
CID 121211109
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
CID 95857505
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51591864
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
CID 16676541
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 16676603
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 51495033
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961074
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 16676552
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one (CID 82467637) is 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one is CC(C)Cn1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is PZHZEXXNEAXVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)7-15-12(16)9(13)6-10(14-15)11-4-3-5-17-11/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 249.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 82467637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).