6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C15H14N6OS — CID 1392482

IUPAC6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(C2=Nn3c(nnc3-c3cc(C)[nH]n3)SC2)cc1
InChIInChI=1S/C15H14N6OS/c1-9-7-12(17-16-9)14-18-19-15-21(14)20-13(8-23-15)10-3-5-11(22-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyOBIFQECQKYRHCL-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.34
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 1392482) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID1392482
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCOc1ccc(C2=Nn3c(nnc3-c3cc(C)[nH]n3)SC2)cc1
InChIInChI=1S/C15H14N6OS/c1-9-7-12(17-16-9)14-18-19-15-21(14)20-13(8-23-15)10-3-5-11(22-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyOBIFQECQKYRHCL-UHFFFAOYSA-N
XLogP2.34
TPSA80.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 1392482) is 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is COc1ccc(C2=Nn3c(nnc3-c3cc(C)[nH]n3)SC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is OBIFQECQKYRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-9-7-12(17-16-9)14-18-19-15-21(14)20-13(8-23-15)10-3-5-11(22-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 326.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 1392482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).