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

C16H13N5OS — CID 662866

IUPAC6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1
InChIInChI=1S/C16H13N5OS/c1-22-13-6-4-11(5-7-13)14-10-23-16-19-18-15(21(16)20-14)12-3-2-8-17-9-12/h2-9H,10H2,1H3
InChIKeyXQEUJJZMKFRCBU-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.71
Rot. Bonds3

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

6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 662866) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID662866
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1
InChIInChI=1S/C16H13N5OS/c1-22-13-6-4-11(5-7-13)14-10-23-16-19-18-15(21(16)20-14)12-3-2-8-17-9-12/h2-9H,10H2,1H3
InChIKeyXQEUJJZMKFRCBU-UHFFFAOYSA-N
XLogP2.71
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 662866) is 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is COc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is XQEUJJZMKFRCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-22-13-6-4-11(5-7-13)14-10-23-16-19-18-15(21(16)20-14)12-3-2-8-17-9-12/h2-9H,10H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 323.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 662866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).