6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C12H16N6S — CID 51044626

IUPAC6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCn1cc(-c2nn3c(C(C)C)nnc3s2)c(C)n1
InChIInChI=1S/C12H16N6S/c1-5-17-6-9(8(4)15-17)11-16-18-10(7(2)3)13-14-12(18)19-11/h6-7H,5H2,1-4H3
InChIKeyAZOSCEKANBGRMM-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.50
Rot. Bonds3

About 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 51044626) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID51044626
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCn1cc(-c2nn3c(C(C)C)nnc3s2)c(C)n1
InChIInChI=1S/C12H16N6S/c1-5-17-6-9(8(4)15-17)11-16-18-10(7(2)3)13-14-12(18)19-11/h6-7H,5H2,1-4H3
InChIKeyAZOSCEKANBGRMM-UHFFFAOYSA-N
XLogP2.50
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 51044626) is 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCn1cc(-c2nn3c(C(C)C)nnc3s2)c(C)n1.
What is the InChIKey of 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is AZOSCEKANBGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-5-17-6-9(8(4)15-17)11-16-18-10(7(2)3)13-14-12(18)19-11/h6-7H,5H2,1-4H3.
What are the key properties of 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 276.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-3-methylpyrazol-4-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 51044626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).