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

C14H14N8S — CID 46949658

IUPAC6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1cc(-c2nn3c(-c4cnccn4)nnc3s2)n(C)n1
InChIInChI=1S/C14H14N8S/c1-8(2)9-6-11(21(3)19-9)13-20-22-12(17-18-14(22)23-13)10-7-15-4-5-16-10/h4-8H,1-3H3
InChIKeyWVMWJDYEHBALHY-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.17
Rot. Bonds3

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

6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 46949658) has the molecular formula C14H14N8S and a molecular weight of 326.39 g/mol. Its IUPAC name is 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID46949658
Molecular FormulaC14H14N8S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1cc(-c2nn3c(-c4cnccn4)nnc3s2)n(C)n1
InChIInChI=1S/C14H14N8S/c1-8(2)9-6-11(21(3)19-9)13-20-22-12(17-18-14(22)23-13)10-7-15-4-5-16-10/h4-8H,1-3H3
InChIKeyWVMWJDYEHBALHY-UHFFFAOYSA-N
XLogP2.17
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 46949658) is 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)c1cc(-c2nn3c(-c4cnccn4)nnc3s2)n(C)n1.
What is the InChIKey of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is WVMWJDYEHBALHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8S/c1-8(2)9-6-11(21(3)19-9)13-20-22-12(17-18-14(22)23-13)10-7-15-4-5-16-10/h4-8H,1-3H3.
What are the key properties of 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 326.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 46949658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).