5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one

C13H14N4O2S — CID 82446499

IUPAC5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESO=C(c1cc(-c2cccs2)n[nH]c1=O)N1CCNCC1
InChIInChI=1S/C13H14N4O2S/c18-12-9(13(19)17-5-3-14-4-6-17)8-10(15-16-12)11-2-1-7-20-11/h1-2,7-8,14H,3-6H2,(H,16,18)
InChIKeyFTRKZJZNLZJLCE-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.54
Rot. Bonds2

About 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one

5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one (PubChem CID 82446499) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one
PubChem CID82446499
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one
SMILESO=C(c1cc(-c2cccs2)n[nH]c1=O)N1CCNCC1
InChIInChI=1S/C13H14N4O2S/c18-12-9(13(19)17-5-3-14-4-6-17)8-10(15-16-12)11-2-1-7-20-11/h1-2,7-8,14H,3-6H2,(H,16,18)
InChIKeyFTRKZJZNLZJLCE-UHFFFAOYSA-N
XLogP0.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one (CID 82446499) is 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one is O=C(c1cc(-c2cccs2)n[nH]c1=O)N1CCNCC1.
What is the InChIKey of 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
The InChIKey is FTRKZJZNLZJLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12-9(13(19)17-5-3-14-4-6-17)8-10(15-16-12)11-2-1-7-20-11/h1-2,7-8,14H,3-6H2,(H,16,18).
What are the key properties of 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one?
5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one has a molecular weight of 290.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 82446499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).