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

C15H10FN5S — CID 118715681

IUPAC6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(Cc2nn3c(-c4cccnc4)nnc3s2)cc1
InChIInChI=1S/C15H10FN5S/c16-12-5-3-10(4-6-12)8-13-20-21-14(18-19-15(21)22-13)11-2-1-7-17-9-11/h1-7,9H,8H2
InChIKeyUYXZOJAPFMKCRC-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.98
Rot. Bonds3

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

6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 118715681) has the molecular formula C15H10FN5S and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID118715681
Molecular FormulaC15H10FN5S
Molecular Weight311.35 g/mol
Exact Mass311.06
IUPAC Name6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1ccc(Cc2nn3c(-c4cccnc4)nnc3s2)cc1
InChIInChI=1S/C15H10FN5S/c16-12-5-3-10(4-6-12)8-13-20-21-14(18-19-15(21)22-13)11-2-1-7-17-9-11/h1-7,9H,8H2
InChIKeyUYXZOJAPFMKCRC-UHFFFAOYSA-N
XLogP2.98
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 118715681) is 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1ccc(Cc2nn3c(-c4cccnc4)nnc3s2)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is UYXZOJAPFMKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5S/c16-12-5-3-10(4-6-12)8-13-20-21-14(18-19-15(21)22-13)11-2-1-7-17-9-11/h1-7,9H,8H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 311.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 118715681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).