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

C12H15N3O3S — CID 117129230

IUPAC2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESO=S1(=O)CCC(Cc2nc3ccc(O)cn3n2)CC1
InChIInChI=1S/C12H15N3O3S/c16-10-1-2-12-13-11(14-15(12)8-10)7-9-3-5-19(17,18)6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyWIUCINUNZBXQCU-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.80
Rot. Bonds2

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

2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol (PubChem CID 117129230) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
PubChem CID117129230
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESO=S1(=O)CCC(Cc2nc3ccc(O)cn3n2)CC1
InChIInChI=1S/C12H15N3O3S/c16-10-1-2-12-13-11(14-15(12)8-10)7-9-3-5-19(17,18)6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyWIUCINUNZBXQCU-UHFFFAOYSA-N
XLogP0.80
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129225
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133878
methyl 2-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129300
4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117131468
2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117129655
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129285
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129197
2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129065
2-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129768
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 102337829
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol (CID 117129230) is 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol is O=S1(=O)CCC(Cc2nc3ccc(O)cn3n2)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The InChIKey is WIUCINUNZBXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-10-1-2-12-13-11(14-15(12)8-10)7-9-3-5-19(17,18)6-4-9/h1-2,8-9,16H,3-7H2.
What are the key properties of 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol has a molecular weight of 281.34 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117129230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).