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

C15H11N5S — CID 848720

IUPAC3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2nnc3sc(-c4ccccn4)nn23)cc1
InChIInChI=1S/C15H11N5S/c1-2-6-11(7-3-1)10-13-17-18-15-20(13)19-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2
InChIKeyUZDPFXPTSKSULQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds3

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

3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 848720) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID848720
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2nnc3sc(-c4ccccn4)nn23)cc1
InChIInChI=1S/C15H11N5S/c1-2-6-11(7-3-1)10-13-17-18-15-20(13)19-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2
InChIKeyUZDPFXPTSKSULQ-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 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 848720) is 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(Cc2nnc3sc(-c4ccccn4)nn23)cc1.
What is the InChIKey of 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is UZDPFXPTSKSULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-2-6-11(7-3-1)10-13-17-18-15-20(13)19-14(21-15)12-8-4-5-9-16-12/h1-9H,10H2.
What are the key properties of 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-benzyl-6-pyridin-2-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 3-benzyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 848720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).