3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H21N5OS — CID 114355109

IUPAC3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCC1(c2nn3c(C4CCOC4)nnc3s2)CCNC1
InChIInChI=1S/C14H21N5OS/c1-2-4-14(5-6-15-9-14)12-18-19-11(10-3-7-20-8-10)16-17-13(19)21-12/h10,15H,2-9H2,1H3
InChIKeyCXMUXBOOQONEBY-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.72
Rot. Bonds4

About 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114355109) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114355109
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCC1(c2nn3c(C4CCOC4)nnc3s2)CCNC1
InChIInChI=1S/C14H21N5OS/c1-2-4-14(5-6-15-9-14)12-18-19-11(10-3-7-20-8-10)16-17-13(19)21-12/h10,15H,2-9H2,1H3
InChIKeyCXMUXBOOQONEBY-UHFFFAOYSA-N
XLogP1.72
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114355109) is 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCCC1(c2nn3c(C4CCOC4)nnc3s2)CCNC1.
What is the InChIKey of 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CXMUXBOOQONEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-2-4-14(5-6-15-9-14)12-18-19-11(10-3-7-20-8-10)16-17-13(19)21-12/h10,15H,2-9H2,1H3.
What are the key properties of 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 307.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114355109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).