6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H10N6S — CID 5306520

IUPAC6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccccc1-c1nn2c(-c3cnccn3)nnc2s1
InChIInChI=1S/C14H10N6S/c1-9-4-2-3-5-10(9)13-19-20-12(17-18-14(20)21-13)11-8-15-6-7-16-11/h2-8H,1H3
InChIKeyVSTNOQLCOGMAJN-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.62
Rot. Bonds2

About 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 5306520) has the molecular formula C14H10N6S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID5306520
Molecular FormulaC14H10N6S
Molecular Weight294.34 g/mol
Exact Mass294.07
IUPAC Name6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccccc1-c1nn2c(-c3cnccn3)nnc2s1
InChIInChI=1S/C14H10N6S/c1-9-4-2-3-5-10(9)13-19-20-12(17-18-14(20)21-13)11-8-15-6-7-16-11/h2-8H,1H3
InChIKeyVSTNOQLCOGMAJN-UHFFFAOYSA-N
XLogP2.62
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 5306520) is 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1ccccc1-c1nn2c(-c3cnccn3)nnc2s1.
What is the InChIKey of 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VSTNOQLCOGMAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S/c1-9-4-2-3-5-10(9)13-19-20-12(17-18-14(20)21-13)11-8-15-6-7-16-11/h2-8H,1H3.
What are the key properties of 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 294.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 5306520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).