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

C18H17N3O2S — CID 617240

IUPAC5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(SC)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-22-14-8-4-12(5-9-14)16-17(20-21-18(19-16)24-3)13-6-10-15(23-2)11-7-13/h4-11H,1-3H3
InChIKeyCUAKRZGAUUUHSI-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.94
Rot. Bonds5

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

5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (PubChem CID 617240) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
PubChem CID617240
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(SC)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-22-14-8-4-12(5-9-14)16-17(20-21-18(19-16)24-3)13-6-10-15(23-2)11-7-13/h4-11H,1-3H3
InChIKeyCUAKRZGAUUUHSI-UHFFFAOYSA-N
XLogP3.94
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Anitrazafen
CID 44410
2-{[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
CID 5296590
5,6-Bis{3-nitro-4-methoxyphenyl}-3-(methylthio)-1,2,4-triazine
CID 6406809
2-{[5,6-Bis(4-ethoxyphenyl)-1,2,4-triazin-3-YL]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
CID 6411895
2-{[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-YL]sulfanyl}-N-cyclohexylbutanamide
CID 16034145
5-(4-Methoxyphenyl)-3-methylsulfanyl-6-(4-methylsulfonylphenyl)-1,2,4-triazine
CID 73334567
2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
CID 6407256
US10988455, Example 1(cxlvi)
CID 67364613
Benzaldehyde, (5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)hydrazone
CID 24834231
as-Triazine, 5,6-diphenyl-3-phenoxy-
CID 202727
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-
CID 210212
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-(4-methyl-1-piperazinyl)-
CID 3042386

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (CID 617240) is 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is COc1ccc(-c2nnc(SC)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is CUAKRZGAUUUHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-22-14-8-4-12(5-9-14)16-17(20-21-18(19-16)24-3)13-6-10-15(23-2)11-7-13/h4-11H,1-3H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 339.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 617240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).