7-chloro-5H-thieno[2,3-d]pyridazin-4-one

C6H3ClN2OS — CID 131850485

IUPAC7-chloro-5H-thieno[2,3-d]pyridazin-4-one
SMILESO=c1[nH]nc(Cl)c2sccc12
InChIInChI=1S/C6H3ClN2OS/c7-5-4-3(1-2-11-4)6(10)9-8-5/h1-2H,(H,9,10)
InChIKeyALIOZSRUIJWAQM-UHFFFAOYSA-N
MW186.62 g/mol
LogP1.64
Rot. Bonds

About 7-chloro-5H-thieno[2,3-d]pyridazin-4-one

7-chloro-5H-thieno[2,3-d]pyridazin-4-one (PubChem CID 131850485) has the molecular formula C6H3ClN2OS and a molecular weight of 186.62 g/mol. Its IUPAC name is 7-chloro-5H-thieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-chloro-5H-thieno[2,3-d]pyridazin-4-one
PubChem CID131850485
Molecular FormulaC6H3ClN2OS
Molecular Weight186.62 g/mol
Exact Mass185.97
IUPAC Name7-chloro-5H-thieno[2,3-d]pyridazin-4-one
SMILESO=c1[nH]nc(Cl)c2sccc12
InChIInChI=1S/C6H3ClN2OS/c7-5-4-3(1-2-11-4)6(10)9-8-5/h1-2H,(H,9,10)
InChIKeyALIOZSRUIJWAQM-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5H-thieno[2,3-d]pyridazin-4-one?
The IUPAC name of 7-chloro-5H-thieno[2,3-d]pyridazin-4-one (CID 131850485) is 7-chloro-5H-thieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-chloro-5H-thieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-chloro-5H-thieno[2,3-d]pyridazin-4-one is O=c1[nH]nc(Cl)c2sccc12.
What is the InChIKey of 7-chloro-5H-thieno[2,3-d]pyridazin-4-one?
The InChIKey is ALIOZSRUIJWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS/c7-5-4-3(1-2-11-4)6(10)9-8-5/h1-2H,(H,9,10).
What are the key properties of 7-chloro-5H-thieno[2,3-d]pyridazin-4-one?
7-chloro-5H-thieno[2,3-d]pyridazin-4-one has a molecular weight of 186.62 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5H-thieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 131850485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).