5-pyrrolidin-1-ylthiatriazole

C5H8N4S — CID 45088500

IUPAC5-pyrrolidin-1-ylthiatriazole
SMILESC1CCN(c2nnns2)C1
InChIInChI=1S/C5H8N4S/c1-2-4-9(3-1)5-6-7-8-10-5/h1-4H2
InChIKeyZJOMNPYQCMCZBR-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.53
Rot. Bonds1

About 5-pyrrolidin-1-ylthiatriazole

5-pyrrolidin-1-ylthiatriazole (PubChem CID 45088500) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylthiatriazole.

Molecular Properties

Compound Name5-pyrrolidin-1-ylthiatriazole
PubChem CID45088500
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5-pyrrolidin-1-ylthiatriazole
SMILESC1CCN(c2nnns2)C1
InChIInChI=1S/C5H8N4S/c1-2-4-9(3-1)5-6-7-8-10-5/h1-4H2
InChIKeyZJOMNPYQCMCZBR-UHFFFAOYSA-N
XLogP0.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylthiatriazole?
The IUPAC name of 5-pyrrolidin-1-ylthiatriazole (CID 45088500) is 5-pyrrolidin-1-ylthiatriazole.
What is the SMILES notation for 5-pyrrolidin-1-ylthiatriazole?
The canonical SMILES for 5-pyrrolidin-1-ylthiatriazole is C1CCN(c2nnns2)C1.
What is the InChIKey of 5-pyrrolidin-1-ylthiatriazole?
The InChIKey is ZJOMNPYQCMCZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-2-4-9(3-1)5-6-7-8-10-5/h1-4H2.
What are the key properties of 5-pyrrolidin-1-ylthiatriazole?
5-pyrrolidin-1-ylthiatriazole has a molecular weight of 156.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylthiatriazole is sourced from PubChem (CID 45088500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).