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

C10H12N6S — CID 30373287

IUPAC6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCc1nnc2sc(-c3cc(C)[nH]n3)nn12
InChIInChI=1S/C10H12N6S/c1-3-4-8-13-14-10-16(8)15-9(17-10)7-5-6(2)11-12-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyJGKUYYHDZXXVOT-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.84
Rot. Bonds3

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

6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 30373287) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID30373287
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCc1nnc2sc(-c3cc(C)[nH]n3)nn12
InChIInChI=1S/C10H12N6S/c1-3-4-8-13-14-10-16(8)15-9(17-10)7-5-6(2)11-12-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyJGKUYYHDZXXVOT-UHFFFAOYSA-N
XLogP1.84
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 30373287) is 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCCc1nnc2sc(-c3cc(C)[nH]n3)nn12.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JGKUYYHDZXXVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-3-4-8-13-14-10-16(8)15-9(17-10)7-5-6(2)11-12-7/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 248.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 30373287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).