6-ethyl-5-methylsulfanyl-1,2,4-triazine

C6H9N3S — CID 91618408

IUPAC6-ethyl-5-methylsulfanyl-1,2,4-triazine
SMILESCCc1nncnc1SC
InChIInChI=1S/C6H9N3S/c1-3-5-6(10-2)7-4-8-9-5/h4H,3H2,1-2H3
InChIKeyQHRAQFBJKAOUDF-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.16
Rot. Bonds2

About 6-ethyl-5-methylsulfanyl-1,2,4-triazine

6-ethyl-5-methylsulfanyl-1,2,4-triazine (PubChem CID 91618408) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 6-ethyl-5-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name6-ethyl-5-methylsulfanyl-1,2,4-triazine
PubChem CID91618408
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name6-ethyl-5-methylsulfanyl-1,2,4-triazine
SMILESCCc1nncnc1SC
InChIInChI=1S/C6H9N3S/c1-3-5-6(10-2)7-4-8-9-5/h4H,3H2,1-2H3
InChIKeyQHRAQFBJKAOUDF-UHFFFAOYSA-N
XLogP1.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 6-ethyl-5-methylsulfanyl-1,2,4-triazine (CID 91618408) is 6-ethyl-5-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 6-ethyl-5-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 6-ethyl-5-methylsulfanyl-1,2,4-triazine is CCc1nncnc1SC.
What is the InChIKey of 6-ethyl-5-methylsulfanyl-1,2,4-triazine?
The InChIKey is QHRAQFBJKAOUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-3-5-6(10-2)7-4-8-9-5/h4H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-methylsulfanyl-1,2,4-triazine?
6-ethyl-5-methylsulfanyl-1,2,4-triazine has a molecular weight of 155.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 91618408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).