[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol

C11H9N5OS — CID 113388746

IUPAC[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C11H9N5OS/c17-7-8-5-12-10(13-6-8)18-11-15-14-9-3-1-2-4-16(9)11/h1-6,17H,7H2
InChIKeyOAXJDRKHFXCJCY-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.16
Rot. Bonds3

About [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol

[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol (PubChem CID 113388746) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
PubChem CID113388746
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C11H9N5OS/c17-7-8-5-12-10(13-6-8)18-11-15-14-9-3-1-2-4-16(9)11/h1-6,17H,7H2
InChIKeyOAXJDRKHFXCJCY-UHFFFAOYSA-N
XLogP1.16
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
CID 80650906
[2-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanol
CID 63835689
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol
CID 103074186
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63820038
3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 113413907
3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55126639
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid
CID 62849134
4-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80889557
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
CID 55126545
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 29188647
(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
CID 55238535

Frequently Asked Questions

What is the IUPAC name of [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol (CID 113388746) is [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol is OCc1cnc(Sc2nnc3ccccn23)nc1.
What is the InChIKey of [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol?
The InChIKey is OAXJDRKHFXCJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c17-7-8-5-12-10(13-6-8)18-11-15-14-9-3-1-2-4-16(9)11/h1-6,17H,7H2.
What are the key properties of [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol?
[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol has a molecular weight of 259.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 113388746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).