3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H16N6S — CID 71820967

IUPAC3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cc(-c2nnc3sc(CCN4CCCC4)nn23)ccn1
InChIInChI=1S/C14H16N6S/c1-2-9-19(8-1)10-5-12-18-20-13(16-17-14(20)21-12)11-3-6-15-7-4-11/h3-4,6-7H,1-2,5,8-10H2
InChIKeyJDNSZDQLKLDLGI-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.89
Rot. Bonds4

About 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71820967) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71820967
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cc(-c2nnc3sc(CCN4CCCC4)nn23)ccn1
InChIInChI=1S/C14H16N6S/c1-2-9-19(8-1)10-5-12-18-20-13(16-17-14(20)21-12)11-3-6-15-7-4-11/h3-4,6-7H,1-2,5,8-10H2
InChIKeyJDNSZDQLKLDLGI-UHFFFAOYSA-N
XLogP1.89
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71820967) is 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1cc(-c2nnc3sc(CCN4CCCC4)nn23)ccn1.
What is the InChIKey of 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JDNSZDQLKLDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-9-19(8-1)10-5-12-18-20-13(16-17-14(20)21-12)11-3-6-15-7-4-11/h3-4,6-7H,1-2,5,8-10H2.
What are the key properties of 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 300.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-6-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71820967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).