6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H10ClN5OS — CID 103756503

IUPAC6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3ccc(Cl)s3)nn12
InChIInChI=1S/C11H10ClN5OS/c12-8-2-1-7(19-8)5-6-13-9-3-4-10-14-15-11(18)17(10)16-9/h1-4H,5-6H2,(H,13,16)(H,15,18)
InChIKeySWZCABWIWHLUIH-UHFFFAOYSA-N
MW295.76 g/mol
LogP1.79
Rot. Bonds4

About 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103756503) has the molecular formula C11H10ClN5OS and a molecular weight of 295.76 g/mol. Its IUPAC name is 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103756503
Molecular FormulaC11H10ClN5OS
Molecular Weight295.76 g/mol
Exact Mass295.03
IUPAC Name6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3ccc(Cl)s3)nn12
InChIInChI=1S/C11H10ClN5OS/c12-8-2-1-7(19-8)5-6-13-9-3-4-10-14-15-11(18)17(10)16-9/h1-4H,5-6H2,(H,13,16)(H,15,18)
InChIKeySWZCABWIWHLUIH-UHFFFAOYSA-N
XLogP1.79
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103756503) is 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCCc3ccc(Cl)s3)nn12.
What is the InChIKey of 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SWZCABWIWHLUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5OS/c12-8-2-1-7(19-8)5-6-13-9-3-4-10-14-15-11(18)17(10)16-9/h1-4H,5-6H2,(H,13,16)(H,15,18).
What are the key properties of 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 295.76 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103756503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).