6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H11N5S — CID 1234087

IUPAC6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1
InChIInChI=1S/C15H11N5S/c1-2-4-11(5-3-1)10-13-19-20-14(17-18-15(20)21-13)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeySPLZRSRRIMQWFP-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds3

About 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 1234087) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID1234087
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1
InChIInChI=1S/C15H11N5S/c1-2-4-11(5-3-1)10-13-19-20-14(17-18-15(20)21-13)12-6-8-16-9-7-12/h1-9H,10H2
InChIKeySPLZRSRRIMQWFP-UHFFFAOYSA-N
XLogP2.84
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 1234087) is 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1.
What is the InChIKey of 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is SPLZRSRRIMQWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-2-4-11(5-3-1)10-13-19-20-14(17-18-15(20)21-13)12-6-8-16-9-7-12/h1-9H,10H2.
What are the key properties of 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 293.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 1234087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).