[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol

C10H8N4OS — CID 50850420

IUPAC[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol
SMILESOCc1ccccc1-c1nn2cnnc2s1
InChIInChI=1S/C10H8N4OS/c15-5-7-3-1-2-4-8(7)9-13-14-6-11-12-10(14)16-9/h1-4,6,15H,5H2
InChIKeySZIJGTUOCZXFRX-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.35
Rot. Bonds2

About [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol

[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol (PubChem CID 50850420) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol
PubChem CID50850420
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol
SMILESOCc1ccccc1-c1nn2cnnc2s1
InChIInChI=1S/C10H8N4OS/c15-5-7-3-1-2-4-8(7)9-13-14-6-11-12-10(14)16-9/h1-4,6,15H,5H2
InChIKeySZIJGTUOCZXFRX-UHFFFAOYSA-N
XLogP1.35
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol?
The IUPAC name of [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol (CID 50850420) is [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol.
What is the SMILES notation for [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol?
The canonical SMILES for [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol is OCc1ccccc1-c1nn2cnnc2s1.
What is the InChIKey of [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol?
The InChIKey is SZIJGTUOCZXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c15-5-7-3-1-2-4-8(7)9-13-14-6-11-12-10(14)16-9/h1-4,6,15H,5H2.
What are the key properties of [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol?
[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol has a molecular weight of 232.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol is sourced from PubChem (CID 50850420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).