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

C14H16N4S — CID 56736484

IUPAC6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1
InChIInChI=1S/C14H16N4S/c1-9(2)13-15-16-14-18(13)17-12(8-19-14)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyVGGPEAZNYUFPAO-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.07
Rot. Bonds2

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

6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 56736484) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID56736484
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCc1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1
InChIInChI=1S/C14H16N4S/c1-9(2)13-15-16-14-18(13)17-12(8-19-14)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyVGGPEAZNYUFPAO-UHFFFAOYSA-N
XLogP3.07
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 56736484) is 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Cc1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is VGGPEAZNYUFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9(2)13-15-16-14-18(13)17-12(8-19-14)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 272.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3-propan-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 56736484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).