1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine

C11H19N5S — CID 114354219

IUPAC1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine
SMILESCCc1nnc2sc(CC(N)C(C)(C)C)nn12
InChIInChI=1S/C11H19N5S/c1-5-8-13-14-10-16(8)15-9(17-10)6-7(12)11(2,3)4/h7H,5-6,12H2,1-4H3
InChIKeyPZDUUJZRRPLSRH-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.66
Rot. Bonds3

About 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine

1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine (PubChem CID 114354219) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine
PubChem CID114354219
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine
SMILESCCc1nnc2sc(CC(N)C(C)(C)C)nn12
InChIInChI=1S/C11H19N5S/c1-5-8-13-14-10-16(8)15-9(17-10)6-7(12)11(2,3)4/h7H,5-6,12H2,1-4H3
InChIKeyPZDUUJZRRPLSRH-UHFFFAOYSA-N
XLogP1.66
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine
CID 114354108
3,3-dimethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114353324
1-amino-3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-ol
CID 114354185
1-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutan-2-amine
CID 114353486
(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)hydrazine
CID 91679130
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356334
1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114354545
1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114354591
3-ethyl-6-(piperidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354178
4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 952391
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
CID 65280352
2-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]butan-1-amine
CID 114352887

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine (CID 114354219) is 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine is CCc1nnc2sc(CC(N)C(C)(C)C)nn12.
What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is PZDUUJZRRPLSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-5-8-13-14-10-16(8)15-9(17-10)6-7(12)11(2,3)4/h7H,5-6,12H2,1-4H3.
What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine?
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 253.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 114354219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).