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

C10H13F3N6OS — CID 31529786

IUPAC3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESCC(C)(C)c1noc(CSc2nnc(C(F)(F)F)n2N)n1
InChIInChI=1S/C10H13F3N6OS/c1-9(2,3)6-15-5(20-18-6)4-21-8-17-16-7(19(8)14)10(11,12)13/h4,14H2,1-3H3
InChIKeyXSASVFVAIDDYNP-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.98
Rot. Bonds3

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

3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine (PubChem CID 31529786) has the molecular formula C10H13F3N6OS and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
PubChem CID31529786
Molecular FormulaC10H13F3N6OS
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESCC(C)(C)c1noc(CSc2nnc(C(F)(F)F)n2N)n1
InChIInChI=1S/C10H13F3N6OS/c1-9(2,3)6-15-5(20-18-6)4-21-8-17-16-7(19(8)14)10(11,12)13/h4,14H2,1-3H3
InChIKeyXSASVFVAIDDYNP-UHFFFAOYSA-N
XLogP1.98
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-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-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine (CID 31529786) is 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine is CC(C)(C)c1noc(CSc2nnc(C(F)(F)F)n2N)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The InChIKey is XSASVFVAIDDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N6OS/c1-9(2,3)6-15-5(20-18-6)4-21-8-17-16-7(19(8)14)10(11,12)13/h4,14H2,1-3H3.
What are the key properties of 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine has a molecular weight of 322.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 31529786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).