7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine

C6H9N5S — CID 11194710

IUPAC7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine
SMILESCSc1nnc2n1N=CN(C)C2
InChIInChI=1S/C6H9N5S/c1-10-3-5-8-9-6(12-2)11(5)7-4-10/h4H,3H2,1-2H3
InChIKeyISBZKWGPFSHGRV-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.24
Rot. Bonds1

About 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine

7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine (PubChem CID 11194710) has the molecular formula C6H9N5S and a molecular weight of 183.24 g/mol. Its IUPAC name is 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine.

Molecular Properties

Compound Name7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine
PubChem CID11194710
Molecular FormulaC6H9N5S
Molecular Weight183.24 g/mol
Exact Mass183.06
IUPAC Name7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine
SMILESCSc1nnc2n1N=CN(C)C2
InChIInChI=1S/C6H9N5S/c1-10-3-5-8-9-6(12-2)11(5)7-4-10/h4H,3H2,1-2H3
InChIKeyISBZKWGPFSHGRV-UHFFFAOYSA-N
XLogP0.24
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine?
The IUPAC name of 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine (CID 11194710) is 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine.
What is the SMILES notation for 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine?
The canonical SMILES for 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine is CSc1nnc2n1N=CN(C)C2.
What is the InChIKey of 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine?
The InChIKey is ISBZKWGPFSHGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5S/c1-10-3-5-8-9-6(12-2)11(5)7-4-10/h4H,3H2,1-2H3.
What are the key properties of 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine?
7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine has a molecular weight of 183.24 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylsulfanyl-8H-[1,2,4]triazolo[3,4-f][1,2,4]triazine is sourced from PubChem (CID 11194710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).