6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H22N8S — CID 71700897

IUPAC6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCn1cc(-c2nnc3sc(-c4cc(C(C)(C)C)[nH]n4)nn23)c(C)n1
InChIInChI=1S/C17H22N8S/c1-6-7-24-9-11(10(2)22-24)14-20-21-16-25(14)23-15(26-16)12-8-13(19-18-12)17(3,4)5/h8-9H,6-7H2,1-5H3,(H,18,19)
InChIKeyWTPXTVUYWYAPDI-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.46
Rot. Bonds4

About 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71700897) has the molecular formula C17H22N8S and a molecular weight of 370.49 g/mol. Its IUPAC name is 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71700897
Molecular FormulaC17H22N8S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCn1cc(-c2nnc3sc(-c4cc(C(C)(C)C)[nH]n4)nn23)c(C)n1
InChIInChI=1S/C17H22N8S/c1-6-7-24-9-11(10(2)22-24)14-20-21-16-25(14)23-15(26-16)12-8-13(19-18-12)17(3,4)5/h8-9H,6-7H2,1-5H3,(H,18,19)
InChIKeyWTPXTVUYWYAPDI-UHFFFAOYSA-N
XLogP3.46
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71700897) is 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCCn1cc(-c2nnc3sc(-c4cc(C(C)(C)C)[nH]n4)nn23)c(C)n1.
What is the InChIKey of 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is WTPXTVUYWYAPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8S/c1-6-7-24-9-11(10(2)22-24)14-20-21-16-25(14)23-15(26-16)12-8-13(19-18-12)17(3,4)5/h8-9H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 370.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71700897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).