3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C10H13N7S — CID 23006555

IUPAC3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESCc1cc(-c2nnc3sc(N)nn23)n(C(C)C)n1
InChIInChI=1S/C10H13N7S/c1-5(2)16-7(4-6(3)14-16)8-12-13-10-17(8)15-9(11)18-10/h4-5H,1-3H3,(H2,11,15)
InChIKeyKTXRJGGCGVTWRX-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.52
Rot. Bonds2

About 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 23006555) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID23006555
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESCc1cc(-c2nnc3sc(N)nn23)n(C(C)C)n1
InChIInChI=1S/C10H13N7S/c1-5(2)16-7(4-6(3)14-16)8-12-13-10-17(8)15-9(11)18-10/h4-5H,1-3H3,(H2,11,15)
InChIKeyKTXRJGGCGVTWRX-UHFFFAOYSA-N
XLogP1.52
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006566
3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006574
3-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82479405
3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006565
3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006534
4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine
CID 70851780
[2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
CID 105487125
3-(aminomethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82468081
methyl 2-[[5-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 23007169
4-(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
CID 82484120
3-(2-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 28692931
5-(2,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
CID 4774988

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 23006555) is 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is Cc1cc(-c2nnc3sc(N)nn23)n(C(C)C)n1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is KTXRJGGCGVTWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-5(2)16-7(4-6(3)14-16)8-12-13-10-17(8)15-9(11)18-10/h4-5H,1-3H3,(H2,11,15).
What are the key properties of 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 263.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 23006555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).