1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol

C10H14N4OS — CID 114356350

IUPAC1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
SMILESCC(O)c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C10H14N4OS/c1-6(15)9-13-14-8(7-4-2-3-5-7)11-12-10(14)16-9/h6-7,15H,2-5H2,1H3
InChIKeyKMUCVXHIMBKLPI-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.90
Rot. Bonds2

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

1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol (PubChem CID 114356350) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
PubChem CID114356350
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
SMILESCC(O)c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C10H14N4OS/c1-6(15)9-13-14-8(7-4-2-3-5-7)11-12-10(14)16-9/h6-7,15H,2-5H2,1H3
InChIKeyKMUCVXHIMBKLPI-UHFFFAOYSA-N
XLogP1.90
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The IUPAC name of 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol (CID 114356350) is 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol.
What is the SMILES notation for 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The canonical SMILES for 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol is CC(O)c1nn2c(C3CCCC3)nnc2s1.
What is the InChIKey of 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The InChIKey is KMUCVXHIMBKLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(15)9-13-14-8(7-4-2-3-5-7)11-12-10(14)16-9/h6-7,15H,2-5H2,1H3.
What are the key properties of 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol has a molecular weight of 238.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol is sourced from PubChem (CID 114356350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).