3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H23N5S — CID 107070563

IUPAC3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CCCNC1c1nn2c(C3CCCCC3)nnc2s1
InChIInChI=1S/C15H23N5S/c1-10-6-5-9-16-12(10)14-19-20-13(17-18-15(20)21-14)11-7-3-2-4-8-11/h10-12,16H,2-9H2,1H3
InChIKeyIRANZCXYGHDNRD-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.29
Rot. Bonds2

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

3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 107070563) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID107070563
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CCCNC1c1nn2c(C3CCCCC3)nnc2s1
InChIInChI=1S/C15H23N5S/c1-10-6-5-9-16-12(10)14-19-20-13(17-18-15(20)21-14)11-7-3-2-4-8-11/h10-12,16H,2-9H2,1H3
InChIKeyIRANZCXYGHDNRD-UHFFFAOYSA-N
XLogP3.29
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 107070563) is 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC1CCCNC1c1nn2c(C3CCCCC3)nnc2s1.
What is the InChIKey of 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is IRANZCXYGHDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-10-6-5-9-16-12(10)14-19-20-13(17-18-15(20)21-14)11-7-3-2-4-8-11/h10-12,16H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 305.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 107070563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).