7-oxo-6H-thieno[2,3-d]pyridazin-4-olate

C6H3N2O2S- — CID 86307714

IUPAC7-oxo-6H-thieno[2,3-d]pyridazin-4-olate
SMILESO=c1[nH]nc([O-])c2ccsc12
InChIInChI=1S/C6H4N2O2S/c9-5-3-1-2-11-4(3)6(10)8-7-5/h1-2H,(H,7,9)(H,8,10)/p-1
InChIKeyKWBNTVHZVCVOAV-UHFFFAOYSA-M
MW167.17 g/mol
LogP0.06
Rot. Bonds

About 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate

7-oxo-6H-thieno[2,3-d]pyridazin-4-olate (PubChem CID 86307714) has the molecular formula C6H3N2O2S- and a molecular weight of 167.17 g/mol. Its IUPAC name is 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate.

Molecular Properties

Compound Name7-oxo-6H-thieno[2,3-d]pyridazin-4-olate
PubChem CID86307714
Molecular FormulaC6H3N2O2S-
Molecular Weight167.17 g/mol
Exact Mass166.99
IUPAC Name7-oxo-6H-thieno[2,3-d]pyridazin-4-olate
SMILESO=c1[nH]nc([O-])c2ccsc12
InChIInChI=1S/C6H4N2O2S/c9-5-3-1-2-11-4(3)6(10)8-7-5/h1-2H,(H,7,9)(H,8,10)/p-1
InChIKeyKWBNTVHZVCVOAV-UHFFFAOYSA-M
XLogP0.06
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5H-thieno[2,3-d]pyridazin-4-one
CID 131850485
silver 4-oxo-3H-phthalazin-1-olate
CID 90482828
7-bromo-6-fluoro-5H-thieno[2,3-c]quinolin-4-one
CID 177252186
3,10-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-7,14-dione
CID 126765633
6,7-dimethyl-5H-thieno[3,2-c]pyridin-4-one
CID 134859835
8-fluoro-5H-thieno[2,3-c]quinolin-4-one
CID 53472353
9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549551
2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione;bis(3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene)
CID 139204020
7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472349
7,10,20,23-tetrathia-2,15-diazaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1,3,5,8,11,13,15,17(21),18,22(26),24-undecaene
CID 102314304
7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one
CID 119091655
5-thia-7,11,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10-pentaen-12-one
CID 141278892

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate?
The IUPAC name of 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate (CID 86307714) is 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate.
What is the SMILES notation for 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate?
The canonical SMILES for 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate is O=c1[nH]nc([O-])c2ccsc12.
What is the InChIKey of 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate?
The InChIKey is KWBNTVHZVCVOAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4N2O2S/c9-5-3-1-2-11-4(3)6(10)8-7-5/h1-2H,(H,7,9)(H,8,10)/p-1.
What are the key properties of 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate?
7-oxo-6H-thieno[2,3-d]pyridazin-4-olate has a molecular weight of 167.17 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6H-thieno[2,3-d]pyridazin-4-olate is sourced from PubChem (CID 86307714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).