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

C13H6F2N6S — CID 16766001

IUPAC6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)c(F)c1
InChIInChI=1S/C13H6F2N6S/c14-7-1-2-8(9(15)5-7)12-20-21-11(18-19-13(21)22-12)10-6-16-3-4-17-10/h1-6H
InChIKeyCVOTWKUGHBKCCQ-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.59
Rot. Bonds2

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

6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 16766001) has the molecular formula C13H6F2N6S and a molecular weight of 316.30 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID16766001
Molecular FormulaC13H6F2N6S
Molecular Weight316.30 g/mol
Exact Mass316.03
IUPAC Name6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)c(F)c1
InChIInChI=1S/C13H6F2N6S/c14-7-1-2-8(9(15)5-7)12-20-21-11(18-19-13(21)22-12)10-6-16-3-4-17-10/h1-6H
InChIKeyCVOTWKUGHBKCCQ-UHFFFAOYSA-N
XLogP2.59
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 16766001) is 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CVOTWKUGHBKCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F2N6S/c14-7-1-2-8(9(15)5-7)12-20-21-11(18-19-13(21)22-12)10-6-16-3-4-17-10/h1-6H.
What are the key properties of 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 316.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 16766001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).