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

C17H14ClN5OS — CID 4205242

IUPAC6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCOc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1Cl
InChIInChI=1S/C17H14ClN5OS/c1-2-24-15-6-5-11(8-13(15)18)14-10-25-17-21-20-16(23(17)22-14)12-4-3-7-19-9-12/h3-9H,2,10H2,1H3
InChIKeyQDWGDRPRPJZEHL-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.75
Rot. Bonds4

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

6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 4205242) has the molecular formula C17H14ClN5OS and a molecular weight of 371.85 g/mol. Its IUPAC name is 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID4205242
Molecular FormulaC17H14ClN5OS
Molecular Weight371.85 g/mol
Exact Mass371.06
IUPAC Name6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCOc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1Cl
InChIInChI=1S/C17H14ClN5OS/c1-2-24-15-6-5-11(8-13(15)18)14-10-25-17-21-20-16(23(17)22-14)12-4-3-7-19-9-12/h3-9H,2,10H2,1H3
InChIKeyQDWGDRPRPJZEHL-UHFFFAOYSA-N
XLogP3.75
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 4205242) is 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CCOc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is QDWGDRPRPJZEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5OS/c1-2-24-15-6-5-11(8-13(15)18)14-10-25-17-21-20-16(23(17)22-14)12-4-3-7-19-9-12/h3-9H,2,10H2,1H3.
What are the key properties of 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 371.85 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-ethoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 4205242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).