3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine

C13H15N3S — CID 12853065

IUPAC3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine
SMILESCSc1nncc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C13H15N3S/c1-8-5-9(2)12(10(3)6-8)11-7-14-16-13(15-11)17-4/h5-7H,1-4H3
InChIKeyMZMJFSJKXVQUGH-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.19
Rot. Bonds2

About 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine

3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine (PubChem CID 12853065) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine
PubChem CID12853065
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine
SMILESCSc1nncc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C13H15N3S/c1-8-5-9(2)12(10(3)6-8)11-7-14-16-13(15-11)17-4/h5-7H,1-4H3
InChIKeyMZMJFSJKXVQUGH-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine?
The IUPAC name of 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine (CID 12853065) is 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine?
The canonical SMILES for 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine is CSc1nncc(-c2c(C)cc(C)cc2C)n1.
What is the InChIKey of 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine?
The InChIKey is MZMJFSJKXVQUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8-5-9(2)12(10(3)6-8)11-7-14-16-13(15-11)17-4/h5-7H,1-4H3.
What are the key properties of 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine?
3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine has a molecular weight of 245.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine is sourced from PubChem (CID 12853065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).