6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one

C8H5N5OS — CID 135668170

IUPAC6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1[nH]c2ccsc2cc1-c1nn[nH]n1
InChIInChI=1S/C8H5N5OS/c14-8-4(7-10-12-13-11-7)3-6-5(9-8)1-2-15-6/h1-3H,(H,9,14)(H,10,11,12,13)
InChIKeyGQTNRUIBFYDRAF-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.77
Rot. Bonds1

About 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one

6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 135668170) has the molecular formula C8H5N5OS and a molecular weight of 219.23 g/mol. Its IUPAC name is 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID135668170
Molecular FormulaC8H5N5OS
Molecular Weight219.23 g/mol
Exact Mass219.02
IUPAC Name6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1[nH]c2ccsc2cc1-c1nn[nH]n1
InChIInChI=1S/C8H5N5OS/c14-8-4(7-10-12-13-11-7)3-6-5(9-8)1-2-15-6/h1-3H,(H,9,14)(H,10,11,12,13)
InChIKeyGQTNRUIBFYDRAF-UHFFFAOYSA-N
XLogP0.77
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one (CID 135668170) is 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one is O=c1[nH]c2ccsc2cc1-c1nn[nH]n1.
What is the InChIKey of 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is GQTNRUIBFYDRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5OS/c14-8-4(7-10-12-13-11-7)3-6-5(9-8)1-2-15-6/h1-3H,(H,9,14)(H,10,11,12,13).
What are the key properties of 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 219.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-tetrazol-5-yl)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 135668170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).