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

C11H13N3O3S — CID 117129655

IUPAC2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESO=S1(=O)CCCCC1c1nc2ccc(O)cn2n1
InChIInChI=1S/C11H13N3O3S/c15-8-4-5-10-12-11(13-14(10)7-8)9-3-1-2-6-18(9,16)17/h4-5,7,9,15H,1-3,6H2
InChIKeyDIORAQPAEWMKRF-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.07
Rot. Bonds1

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

2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol (PubChem CID 117129655) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
PubChem CID117129655
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESO=S1(=O)CCCCC1c1nc2ccc(O)cn2n1
InChIInChI=1S/C11H13N3O3S/c15-8-4-5-10-12-11(13-14(10)7-8)9-3-1-2-6-18(9,16)17/h4-5,7,9,15H,1-3,6H2
InChIKeyDIORAQPAEWMKRF-UHFFFAOYSA-N
XLogP1.07
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol (CID 117129655) is 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol is O=S1(=O)CCCCC1c1nc2ccc(O)cn2n1.
What is the InChIKey of 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The InChIKey is DIORAQPAEWMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-8-4-5-10-12-11(13-14(10)7-8)9-3-1-2-6-18(9,16)17/h4-5,7,9,15H,1-3,6H2.
What are the key properties of 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol has a molecular weight of 267.31 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117129655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).