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

C12H19N3O3S — CID 117157324

IUPAC[2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
SMILESO=S1(=O)CCC(c2nc3n(n2)CCCC3CO)CC1
InChIInChI=1S/C12H19N3O3S/c16-8-10-2-1-5-15-12(10)13-11(14-15)9-3-6-19(17,18)7-4-9/h9-10,16H,1-8H2
InChIKeyBLBZNAPJUWCAQO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.44
Rot. Bonds2

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

[2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (PubChem CID 117157324) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
PubChem CID117157324
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name[2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
SMILESO=S1(=O)CCC(c2nc3n(n2)CCCC3CO)CC1
InChIInChI=1S/C12H19N3O3S/c16-8-10-2-1-5-15-12(10)13-11(14-15)9-3-6-19(17,18)7-4-9/h9-10,16H,1-8H2
InChIKeyBLBZNAPJUWCAQO-UHFFFAOYSA-N
XLogP0.44
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157372
[2-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157376
2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
CID 83865943
2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 82567746
8-fluoro-2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 83964847
[2-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157579
2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567782
[2-[(1-ethylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157361
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117157802
3-[8-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenol
CID 117157535
[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157446
2-cyclopentyl-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 164693142

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The IUPAC name of [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (CID 117157324) is [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.
What is the SMILES notation for [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The canonical SMILES for [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is O=S1(=O)CCC(c2nc3n(n2)CCCC3CO)CC1.
What is the InChIKey of [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The InChIKey is BLBZNAPJUWCAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-8-10-2-1-5-15-12(10)13-11(14-15)9-3-6-19(17,18)7-4-9/h9-10,16H,1-8H2.
What are the key properties of [2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
[2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of 0.44, 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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is sourced from PubChem (CID 117157324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).