5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine

C6H7N5S — CID 22367335

IUPAC5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(C)nc2ncnn12
InChIInChI=1S/C6H7N5S/c1-4-9-5-7-3-8-11(5)6(10-4)12-2/h3H,1-2H3
InChIKeyZUZYECLBYFSGFB-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.55
Rot. Bonds1

About 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine

5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine (PubChem CID 22367335) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
PubChem CID22367335
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(C)nc2ncnn12
InChIInChI=1S/C6H7N5S/c1-4-9-5-7-3-8-11(5)6(10-4)12-2/h3H,1-2H3
InChIKeyZUZYECLBYFSGFB-UHFFFAOYSA-N
XLogP0.55
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine (CID 22367335) is 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine is CSc1nc(C)nc2ncnn12.
What is the InChIKey of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The InChIKey is ZUZYECLBYFSGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-4-9-5-7-3-8-11(5)6(10-4)12-2/h3H,1-2H3.
What are the key properties of 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine has a molecular weight of 181.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 22367335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).