6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C15H10ClN5S — CID 665851

IUPAC6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccccc1C1=Nn2c(nnc2-c2ccncc2)SC1
InChIInChI=1S/C15H10ClN5S/c16-12-4-2-1-3-11(12)13-9-22-15-19-18-14(21(15)20-13)10-5-7-17-8-6-10/h1-8H,9H2
InChIKeyORSKOHWQSBYGKJ-UHFFFAOYSA-N
MW327.80 g/mol
LogP3.35
Rot. Bonds2

About 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 665851) has the molecular formula C15H10ClN5S and a molecular weight of 327.80 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID665851
Molecular FormulaC15H10ClN5S
Molecular Weight327.80 g/mol
Exact Mass327.03
IUPAC Name6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccccc1C1=Nn2c(nnc2-c2ccncc2)SC1
InChIInChI=1S/C15H10ClN5S/c16-12-4-2-1-3-11(12)13-9-22-15-19-18-14(21(15)20-13)10-5-7-17-8-6-10/h1-8H,9H2
InChIKeyORSKOHWQSBYGKJ-UHFFFAOYSA-N
XLogP3.35
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 665851) is 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Clc1ccccc1C1=Nn2c(nnc2-c2ccncc2)SC1.
What is the InChIKey of 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is ORSKOHWQSBYGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5S/c16-12-4-2-1-3-11(12)13-9-22-15-19-18-14(21(15)20-13)10-5-7-17-8-6-10/h1-8H,9H2.
What are the key properties of 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 327.80 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 665851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).