3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C9H11N7S — CID 23006565

IUPAC3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESCCc1cc(-c2nnc3sc(N)nn23)nn1C
InChIInChI=1S/C9H11N7S/c1-3-5-4-6(13-15(5)2)7-11-12-9-16(7)14-8(10)17-9/h4H,3H2,1-2H3,(H2,10,14)
InChIKeyICSLZFIIGPDKJI-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.73
Rot. Bonds2

About 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 23006565) has the molecular formula C9H11N7S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID23006565
Molecular FormulaC9H11N7S
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESCCc1cc(-c2nnc3sc(N)nn23)nn1C
InChIInChI=1S/C9H11N7S/c1-3-5-4-6(13-15(5)2)7-11-12-9-16(7)14-8(10)17-9/h4H,3H2,1-2H3,(H2,10,14)
InChIKeyICSLZFIIGPDKJI-UHFFFAOYSA-N
XLogP0.73
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45276315
3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006574
3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006566
3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006555
3-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82479405
3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006534
3-(4-chloro-1-methylpyrazol-5-yl)-6-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71704026
3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82468081
5-ethyl-3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621696
3-(2-chlorophenyl)-5-ethyl-1-methylpyrazole
CID 70791545
3-[(2,5-dimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39374269
3-(2-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 28692931

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 23006565) is 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is CCc1cc(-c2nnc3sc(N)nn23)nn1C.
What is the InChIKey of 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is ICSLZFIIGPDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7S/c1-3-5-4-6(13-15(5)2)7-11-12-9-16(7)14-8(10)17-9/h4H,3H2,1-2H3,(H2,10,14).
What are the key properties of 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 249.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 23006565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).