2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine

C11H16N8S — CID 114353517

IUPAC2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine
SMILESCC(C)(C)c1nnc2sc(-c3cn(CCN)nn3)nn12
InChIInChI=1S/C11H16N8S/c1-11(2,3)9-14-15-10-19(9)16-8(20-10)7-6-18(5-4-12)17-13-7/h6H,4-5,12H2,1-3H3
InChIKeyCYZFAAYXLRDPIW-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.70
Rot. Bonds3

About 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine

2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine (PubChem CID 114353517) has the molecular formula C11H16N8S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine
PubChem CID114353517
Molecular FormulaC11H16N8S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine
SMILESCC(C)(C)c1nnc2sc(-c3cn(CCN)nn3)nn12
InChIInChI=1S/C11H16N8S/c1-11(2,3)9-14-15-10-19(9)16-8(20-10)7-6-18(5-4-12)17-13-7/h6H,4-5,12H2,1-3H3
InChIKeyCYZFAAYXLRDPIW-UHFFFAOYSA-N
XLogP0.70
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine
CID 114353436
3,6-ditert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 164706286
2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-chlorophenol
CID 136991453
2,4-dibromo-6-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114353531
4-bromo-2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114353429
2-[4-(4-bromo-5-chlorothiophen-2-yl)triazol-1-yl]ethanamine
CID 102845927
2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluorophenol
CID 136789814
5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine
CID 104605679
3-tert-butyl-6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4973771
3,3-dimethylbutyl 1-(2-aminoethyl)triazole-4-carboxylate
CID 66226673
1-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutan-2-amine
CID 114353486
2-[4-(3-bromo-4-methylphenyl)triazol-1-yl]ethanamine
CID 105411955

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine (CID 114353517) is 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine is CC(C)(C)c1nnc2sc(-c3cn(CCN)nn3)nn12.
What is the InChIKey of 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine?
The InChIKey is CYZFAAYXLRDPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8S/c1-11(2,3)9-14-15-10-19(9)16-8(20-10)7-6-18(5-4-12)17-13-7/h6H,4-5,12H2,1-3H3.
What are the key properties of 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine?
2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine has a molecular weight of 292.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine is sourced from PubChem (CID 114353517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).