6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C9H8N4S2 — CID 848918

IUPAC6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC1=Nn2c(nnc2-c2cccs2)SC1
InChIInChI=1S/C9H8N4S2/c1-6-5-15-9-11-10-8(13(9)12-6)7-3-2-4-14-7/h2-4H,5H2,1H3
InChIKeyOREBCHAGKQDMNG-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.34
Rot. Bonds1

About 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 848918) has the molecular formula C9H8N4S2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID848918
Molecular FormulaC9H8N4S2
Molecular Weight236.33 g/mol
Exact Mass236.02
IUPAC Name6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC1=Nn2c(nnc2-c2cccs2)SC1
InChIInChI=1S/C9H8N4S2/c1-6-5-15-9-11-10-8(13(9)12-6)7-3-2-4-14-7/h2-4H,5H2,1H3
InChIKeyOREBCHAGKQDMNG-UHFFFAOYSA-N
XLogP2.34
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 848918) is 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CC1=Nn2c(nnc2-c2cccs2)SC1.
What is the InChIKey of 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is OREBCHAGKQDMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S2/c1-6-5-15-9-11-10-8(13(9)12-6)7-3-2-4-14-7/h2-4H,5H2,1H3.
What are the key properties of 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 236.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 848918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).