4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one

C14H19N3O2S — CID 82447694

IUPAC4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
SMILESCOCCn1nc(-c2cccs2)cc(C(C)(C)N)c1=O
InChIInChI=1S/C14H19N3O2S/c1-14(2,15)10-9-11(12-5-4-8-20-12)16-17(13(10)18)6-7-19-3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyMPMJYMJYUCNCAH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.81
Rot. Bonds5

About 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one

4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one (PubChem CID 82447694) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
PubChem CID82447694
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
SMILESCOCCn1nc(-c2cccs2)cc(C(C)(C)N)c1=O
InChIInChI=1S/C14H19N3O2S/c1-14(2,15)10-9-11(12-5-4-8-20-12)16-17(13(10)18)6-7-19-3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyMPMJYMJYUCNCAH-UHFFFAOYSA-N
XLogP1.81
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 82445319
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
2-butyl-3-oxo-6-thiophen-2-ylpyridazine-4-carbonitrile
CID 82447208
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51591864
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N,N-dimethylacetamide
CID 95857505
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
ethyl 3-oxo-2-prop-2-enyl-6-thiophen-2-ylpyridazine-4-carboxylate
CID 100785362

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one (CID 82447694) is 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one is COCCn1nc(-c2cccs2)cc(C(C)(C)N)c1=O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is MPMJYMJYUCNCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2,15)10-9-11(12-5-4-8-20-12)16-17(13(10)18)6-7-19-3/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one?
4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 293.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 82447694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).