3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine

C20H16N6S2 — CID 15564624

IUPAC3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
SMILESCSc1nnc(-c2ccccc2)c(-c2nc(SC)nnc2-c2ccccc2)n1
InChIInChI=1S/C20H16N6S2/c1-27-19-21-17(15(23-25-19)13-9-5-3-6-10-13)18-16(14-11-7-4-8-12-14)24-26-20(22-18)28-2/h3-12H,1-2H3
InChIKeyVLHUMBNLRBPLAJ-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.50
Rot. Bonds5

About 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine

3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine (PubChem CID 15564624) has the molecular formula C20H16N6S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
PubChem CID15564624
Molecular FormulaC20H16N6S2
Molecular Weight404.52 g/mol
Exact Mass404.09
IUPAC Name3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
SMILESCSc1nnc(-c2ccccc2)c(-c2nc(SC)nnc2-c2ccccc2)n1
InChIInChI=1S/C20H16N6S2/c1-27-19-21-17(15(23-25-19)13-9-5-3-6-10-13)18-16(14-11-7-4-8-12-14)24-26-20(22-18)28-2/h3-12H,1-2H3
InChIKeyVLHUMBNLRBPLAJ-UHFFFAOYSA-N
XLogP4.50
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine with MolForge

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Related Compounds

5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
CID 67430647
N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine
CID 141028428
3-methylsulfanyl-5,6-bis(4-propan-2-yloxyphenyl)-1,2,4-triazine
CID 20549284
3-[(4-methylphenyl)disulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 134612583
2-methylsulfanyl-4-phenyl-5-(trifluoromethyl)pyrimidine
CID 71232496
3-[(4-fluorophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 6406872
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 2771875
6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
CID 20549290
3-(dodecyldisulfanyl)-5,6-diphenyl-1,2,4-triazine
CID 134612536
5-(4-chlorophenyl)-3-methylsulfanyl-6-(4-methylsulfonylphenyl)-1,2,4-triazine
CID 73334565
5-(4-methoxyphenyl)-3-methylsulfanyl-6-(4-methylsulfonylphenyl)-1,2,4-triazine
CID 73334567
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-diphenylbutanamide
CID 23859713

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine?
The IUPAC name of 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine (CID 15564624) is 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine?
The canonical SMILES for 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine is CSc1nnc(-c2ccccc2)c(-c2nc(SC)nnc2-c2ccccc2)n1.
What is the InChIKey of 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine?
The InChIKey is VLHUMBNLRBPLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S2/c1-27-19-21-17(15(23-25-19)13-9-5-3-6-10-13)18-16(14-11-7-4-8-12-14)24-26-20(22-18)28-2/h3-12H,1-2H3.
What are the key properties of 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine?
3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine has a molecular weight of 404.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine is sourced from PubChem (CID 15564624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).