3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H15N5S — CID 665505

IUPAC3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)nc1
InChIInChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h4-5,8-10H,1-3,6-7H2
InChIKeyLWVTZFJLQSYOSF-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.30
Rot. Bonds2

About 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 665505) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID665505
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)nc1
InChIInChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h4-5,8-10H,1-3,6-7H2
InChIKeyLWVTZFJLQSYOSF-UHFFFAOYSA-N
XLogP3.30
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 665505) is 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)nc1.
What is the InChIKey of 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LWVTZFJLQSYOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 285.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 665505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).