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

C9H13N5OS — CID 114355869

IUPAC2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
SMILESNCC(O)c1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C9H13N5OS/c10-4-6(15)8-13-14-7(5-2-1-3-5)11-12-9(14)16-8/h5-6,15H,1-4,10H2
InChIKeyMIQPCLUIBICAFB-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.45
Rot. Bonds3

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

2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol (PubChem CID 114355869) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
PubChem CID114355869
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
SMILESNCC(O)c1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C9H13N5OS/c10-4-6(15)8-13-14-7(5-2-1-3-5)11-12-9(14)16-8/h5-6,15H,1-4,10H2
InChIKeyMIQPCLUIBICAFB-UHFFFAOYSA-N
XLogP0.45
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The IUPAC name of 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol (CID 114355869) is 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol is NCC(O)c1nn2c(C3CCC3)nnc2s1.
What is the InChIKey of 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
The InChIKey is MIQPCLUIBICAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c10-4-6(15)8-13-14-7(5-2-1-3-5)11-12-9(14)16-8/h5-6,15H,1-4,10H2.
What are the key properties of 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol?
2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol has a molecular weight of 239.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol is sourced from PubChem (CID 114355869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).