3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine

C15H24N6OS — CID 35355746

IUPAC3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
SMILESCC(C)(C)c1nc(CSc2nnc(C3CCCCC3)n2N)no1
InChIInChI=1S/C15H24N6OS/c1-15(2,3)13-17-11(20-22-13)9-23-14-19-18-12(21(14)16)10-7-5-4-6-8-10/h10H,4-9,16H2,1-3H3
InChIKeyZQUMVKZEDVTWEU-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.01
Rot. Bonds4

About 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine

3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine (PubChem CID 35355746) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
PubChem CID35355746
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
SMILESCC(C)(C)c1nc(CSc2nnc(C3CCCCC3)n2N)no1
InChIInChI=1S/C15H24N6OS/c1-15(2,3)13-17-11(20-22-13)9-23-14-19-18-12(21(14)16)10-7-5-4-6-8-10/h10H,4-9,16H2,1-3H3
InChIKeyZQUMVKZEDVTWEU-UHFFFAOYSA-N
XLogP3.01
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine (CID 35355746) is 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine is CC(C)(C)c1nc(CSc2nnc(C3CCCCC3)n2N)no1.
What is the InChIKey of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
The InChIKey is ZQUMVKZEDVTWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-15(2,3)13-17-11(20-22-13)9-23-14-19-18-12(21(14)16)10-7-5-4-6-8-10/h10H,4-9,16H2,1-3H3.
What are the key properties of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine?
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine has a molecular weight of 336.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 35355746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).