3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C15H9N5OS — CID 6472760

IUPAC3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nnc2sc(-c3ccncc3)nn12
InChIInChI=1S/C15H9N5OS/c21-14-12(10-4-2-1-3-5-10)17-18-15-20(14)19-13(22-15)11-6-8-16-9-7-11/h1-9H
InChIKeyZRAXYLLOCPSYMQ-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.28
Rot. Bonds2

About 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 6472760) has the molecular formula C15H9N5OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID6472760
Molecular FormulaC15H9N5OS
Molecular Weight307.34 g/mol
Exact Mass307.05
IUPAC Name3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nnc2sc(-c3ccncc3)nn12
InChIInChI=1S/C15H9N5OS/c21-14-12(10-4-2-1-3-5-10)17-18-15-20(14)19-13(22-15)11-6-8-16-9-7-11/h1-9H
InChIKeyZRAXYLLOCPSYMQ-UHFFFAOYSA-N
XLogP2.28
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 6472760) is 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is O=c1c(-c2ccccc2)nnc2sc(-c3ccncc3)nn12.
What is the InChIKey of 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is ZRAXYLLOCPSYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5OS/c21-14-12(10-4-2-1-3-5-10)17-18-15-20(14)19-13(22-15)11-6-8-16-9-7-11/h1-9H.
What are the key properties of 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 307.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-pyridin-4-yl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 6472760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).