3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H21N5S — CID 114354287

IUPAC3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(Cc1nn2c(C3CC3)nnc2s1)C1CCCNC1
InChIInChI=1S/C14H21N5S/c1-9(11-3-2-6-15-8-11)7-12-18-19-13(10-4-5-10)16-17-14(19)20-12/h9-11,15H,2-8H2,1H3
InChIKeyFRIXKIOFEOIELW-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.24
Rot. Bonds4

About 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114354287) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114354287
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(Cc1nn2c(C3CC3)nnc2s1)C1CCCNC1
InChIInChI=1S/C14H21N5S/c1-9(11-3-2-6-15-8-11)7-12-18-19-13(10-4-5-10)16-17-14(19)20-12/h9-11,15H,2-8H2,1H3
InChIKeyFRIXKIOFEOIELW-UHFFFAOYSA-N
XLogP2.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

4-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutanoic acid
CID 114352762
6-(chloromethyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355979
3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82473348
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine
CID 114354348
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol
CID 114356354
3-cyclopentyl-6-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355497
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine
CID 114355673
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
CID 114354921
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine
CID 114286480

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114354287) is 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(Cc1nn2c(C3CC3)nnc2s1)C1CCCNC1.
What is the InChIKey of 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FRIXKIOFEOIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-9(11-3-2-6-15-8-11)7-12-18-19-13(10-4-5-10)16-17-14(19)20-12/h9-11,15H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 291.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114354287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).