4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one

C11H11N3OS — CID 16756089

IUPAC4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one
SMILESC=Cc1c(-c2cccs2)nn(C)c(=O)c1N
InChIInChI=1S/C11H11N3OS/c1-3-7-9(12)11(15)14(2)13-10(7)8-5-4-6-16-8/h3-6H,1,12H2,2H3
InChIKeyFTRGRBNYAUZEHA-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.73
Rot. Bonds2

About 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one

4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16756089) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one
PubChem CID16756089
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one
SMILESC=Cc1c(-c2cccs2)nn(C)c(=O)c1N
InChIInChI=1S/C11H11N3OS/c1-3-7-9(12)11(15)14(2)13-10(7)8-5-4-6-16-8/h3-6H,1,12H2,2H3
InChIKeyFTRGRBNYAUZEHA-UHFFFAOYSA-N
XLogP1.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one (CID 16756089) is 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one is C=Cc1c(-c2cccs2)nn(C)c(=O)c1N.
What is the InChIKey of 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is FTRGRBNYAUZEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-3-7-9(12)11(15)14(2)13-10(7)8-5-4-6-16-8/h3-6H,1,12H2,2H3.
What are the key properties of 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one?
4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 233.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethenyl-2-methyl-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16756089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).