3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H10FN5OS — CID 6471491

IUPAC3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(OCc2nnc3sc(-c4ccccn4)nn23)cc1
InChIInChI=1S/C15H10FN5OS/c16-10-4-6-11(7-5-10)22-9-13-18-19-15-21(13)20-14(23-15)12-3-1-2-8-17-12/h1-8H,9H2
InChIKeyZDLGPHFDXVZCGQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.97
Rot. Bonds4

About 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 6471491) has the molecular formula C15H10FN5OS and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID6471491
Molecular FormulaC15H10FN5OS
Molecular Weight327.34 g/mol
Exact Mass327.06
IUPAC Name3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(OCc2nnc3sc(-c4ccccn4)nn23)cc1
InChIInChI=1S/C15H10FN5OS/c16-10-4-6-11(7-5-10)22-9-13-18-19-15-21(13)20-14(23-15)12-3-1-2-8-17-12/h1-8H,9H2
InChIKeyZDLGPHFDXVZCGQ-UHFFFAOYSA-N
XLogP2.97
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-(3-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662681
6-[(4-Methoxyphenoxy)methyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234090
6-(Phenoxymethyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662259
6-(Phenoxymethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662380
6-(Phenoxymethyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663133
3-(3-Methoxyphenyl)-6-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665515
6-[(4-Chlorophenoxy)methyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665584
3-(2-Furyl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665718
6-(4-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 934157
6-(4-Ethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936290
3-(2-Methoxyphenyl)-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1836241
3-(3-Cyclopentylsulfanyl-5-phenoxymethyl-[1,2,4]triazol-4-yl)-pyridine
CID 71521352

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 6471491) is 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(OCc2nnc3sc(-c4ccccn4)nn23)cc1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZDLGPHFDXVZCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5OS/c16-10-4-6-11(7-5-10)22-9-13-18-19-15-21(13)20-14(23-15)12-3-1-2-8-17-12/h1-8H,9H2.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 327.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 6471491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).