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

C14H17N3OS — CID 16756426

IUPAC4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one
SMILESC=Cc1c(-c2cccs2)nn(CCCC)c(=O)c1N
InChIInChI=1S/C14H17N3OS/c1-3-5-8-17-14(18)12(15)10(4-2)13(16-17)11-7-6-9-19-11/h4,6-7,9H,2-3,5,8,15H2,1H3
InChIKeyJDVZCYIVXHXWFB-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.00
Rot. Bonds5

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

4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16756426) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one
PubChem CID16756426
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one
SMILESC=Cc1c(-c2cccs2)nn(CCCC)c(=O)c1N
InChIInChI=1S/C14H17N3OS/c1-3-5-8-17-14(18)12(15)10(4-2)13(16-17)11-7-6-9-19-11/h4,6-7,9H,2-3,5,8,15H2,1H3
InChIKeyJDVZCYIVXHXWFB-UHFFFAOYSA-N
XLogP3.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one (CID 16756426) is 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one is C=Cc1c(-c2cccs2)nn(CCCC)c(=O)c1N.
What is the InChIKey of 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is JDVZCYIVXHXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-5-8-17-14(18)12(15)10(4-2)13(16-17)11-7-6-9-19-11/h4,6-7,9H,2-3,5,8,15H2,1H3.
What are the key properties of 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 275.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butyl-5-ethenyl-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16756426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).