3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine

C8H11N5S — CID 114352343

IUPAC3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nn3cnnc3s2)C1
InChIInChI=1S/C8H11N5S/c9-6-2-1-5(3-6)7-12-13-4-10-11-8(13)14-7/h4-6H,1-3,9H2
InChIKeyPJOSGKJXTYSFLP-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.78
Rot. Bonds1

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

3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine (PubChem CID 114352343) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
PubChem CID114352343
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
SMILESNC1CCC(c2nn3cnnc3s2)C1
InChIInChI=1S/C8H11N5S/c9-6-2-1-5(3-6)7-12-13-4-10-11-8(13)14-7/h4-6H,1-3,9H2
InChIKeyPJOSGKJXTYSFLP-UHFFFAOYSA-N
XLogP0.78
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
The IUPAC name of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine (CID 114352343) is 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
The canonical SMILES for 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine is NC1CCC(c2nn3cnnc3s2)C1.
What is the InChIKey of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
The InChIKey is PJOSGKJXTYSFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c9-6-2-1-5(3-6)7-12-13-4-10-11-8(13)14-7/h4-6H,1-3,9H2.
What are the key properties of 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine?
3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine is sourced from PubChem (CID 114352343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).