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

C19H19N3O2S — CID 20549290

IUPAC6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCCOc1ccc(-c2nnc(SC)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-4-24-16-11-7-14(8-12-16)18-17(20-19(25-3)22-21-18)13-5-9-15(23-2)10-6-13/h5-12H,4H2,1-3H3
InChIKeyPOOMTNYZARPNEK-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.33
Rot. Bonds6

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

6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (PubChem CID 20549290) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
PubChem CID20549290
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCCOc1ccc(-c2nnc(SC)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-4-24-16-11-7-14(8-12-16)18-17(20-19(25-3)22-21-18)13-5-9-15(23-2)10-6-13/h5-12H,4H2,1-3H3
InChIKeyPOOMTNYZARPNEK-UHFFFAOYSA-N
XLogP4.33
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine (CID 20549290) is 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is CCOc1ccc(-c2nnc(SC)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is POOMTNYZARPNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-24-16-11-7-14(8-12-16)18-17(20-19(25-3)22-21-18)13-5-9-15(23-2)10-6-13/h5-12H,4H2,1-3H3.
What are the key properties of 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine?
6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 353.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 20549290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).