5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine

C11H11N3OS — CID 3053042

IUPAC5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(SC)n2)cc1
InChIInChI=1S/C11H11N3OS/c1-15-9-5-3-8(4-6-9)10-7-12-14-11(13-10)16-2/h3-7H,1-2H3
InChIKeyZLYZUYMSZPFXIK-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.27
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine

5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (PubChem CID 3053042) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
PubChem CID3053042
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(SC)n2)cc1
InChIInChI=1S/C11H11N3OS/c1-15-9-5-3-8(4-6-9)10-7-12-14-11(13-10)16-2/h3-7H,1-2H3
InChIKeyZLYZUYMSZPFXIK-UHFFFAOYSA-N
XLogP2.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (CID 3053042) is 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is COc1ccc(-c2cnnc(SC)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is ZLYZUYMSZPFXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-15-9-5-3-8(4-6-9)10-7-12-14-11(13-10)16-2/h3-7H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 233.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 3053042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).