3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol

C11H17N3O3S — CID 117151348

IUPAC3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESO=S1(=O)CCCCC1c1nnc2n1CCC(O)C2
InChIInChI=1S/C11H17N3O3S/c15-8-4-5-14-10(7-8)12-13-11(14)9-3-1-2-6-18(9,16)17/h8-9,15H,1-7H2
InChIKeyYOPZUBDGXZWHNI-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.22
Rot. Bonds1

About 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol

3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (PubChem CID 117151348) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.

Molecular Properties

Compound Name3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
PubChem CID117151348
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESO=S1(=O)CCCCC1c1nnc2n1CCC(O)C2
InChIInChI=1S/C11H17N3O3S/c15-8-4-5-14-10(7-8)12-13-11(14)9-3-1-2-6-18(9,16)17/h8-9,15H,1-7H2
InChIKeyYOPZUBDGXZWHNI-UHFFFAOYSA-N
XLogP0.22
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol with MolForge

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Related Compounds

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117148490
3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152624
3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151139
3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117152623
2-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiane 1,1-dioxide
CID 102791668
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151697
3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144113
3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151426
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
2-[5-(bromomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thiane 1,1-dioxide
CID 104523064
2-(4-propan-2-yl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 104523031
2-(4-tert-butyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 113422585

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The IUPAC name of 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (CID 117151348) is 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.
What is the SMILES notation for 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The canonical SMILES for 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is O=S1(=O)CCCCC1c1nnc2n1CCC(O)C2.
What is the InChIKey of 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The InChIKey is YOPZUBDGXZWHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c15-8-4-5-14-10(7-8)12-13-11(14)9-3-1-2-6-18(9,16)17/h8-9,15H,1-7H2.
What are the key properties of 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol has a molecular weight of 271.34 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is sourced from PubChem (CID 117151348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).