6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C19H13N5S — CID 972436

IUPAC6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2ccccc2n1
InChIInChI=1S/C19H13N5S/c1-12-11-15(14-9-5-6-10-16(14)20-12)18-23-24-17(21-22-19(24)25-18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyHIVZYJQJXQGHHV-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.38
Rot. Bonds2

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

6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 972436) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID972436
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC Name6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2ccccc2n1
InChIInChI=1S/C19H13N5S/c1-12-11-15(14-9-5-6-10-16(14)20-12)18-23-24-17(21-22-19(24)25-18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyHIVZYJQJXQGHHV-UHFFFAOYSA-N
XLogP4.38
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 972436) is 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2ccccc2n1.
What is the InChIKey of 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is HIVZYJQJXQGHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c1-12-11-15(14-9-5-6-10-16(14)20-12)18-23-24-17(21-22-19(24)25-18)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 343.42 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylquinolin-4-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 972436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).