3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol

C11H16N2O3S — CID 117152418

IUPAC3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
SMILESO=S1(=O)CCC(c2ncc3n2CCCC3O)C1
InChIInChI=1S/C11H16N2O3S/c14-10-2-1-4-13-9(10)6-12-11(13)8-3-5-17(15,16)7-8/h6,8,10,14H,1-5,7H2
InChIKeyFFEJCUUAMNKWJN-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.61
Rot. Bonds1

About 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol

3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol (PubChem CID 117152418) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
PubChem CID117152418
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
SMILESO=S1(=O)CCC(c2ncc3n2CCCC3O)C1
InChIInChI=1S/C11H16N2O3S/c14-10-2-1-4-13-9(10)6-12-11(13)8-3-5-17(15,16)7-8/h6,8,10,14H,1-5,7H2
InChIKeyFFEJCUUAMNKWJN-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol with MolForge

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Related Compounds

3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152584
3-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105459210
3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105476515
3-(1,1-dioxothian-4-yl)-8-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249700
3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148291
(3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83833042
1-(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)ethanamine
CID 83865216
3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151871
3-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151926
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556
3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151908
5-amino-3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247458

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol (CID 117152418) is 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol is O=S1(=O)CCC(c2ncc3n2CCCC3O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol?
The InChIKey is FFEJCUUAMNKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-10-2-1-4-13-9(10)6-12-11(13)8-3-5-17(15,16)7-8/h6,8,10,14H,1-5,7H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol?
3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol has a molecular weight of 256.33 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 117152418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).