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

C23H19N3O3 — CID 3062889

IUPAC5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(Oc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-27-18-12-8-16(9-13-18)21-22(17-10-14-19(28-2)15-11-17)25-26-23(24-21)29-20-6-4-3-5-7-20/h3-15H,1-2H3
InChIKeyZYJPJJWBRBGNIA-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.02
Rot. Bonds6

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

5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine (PubChem CID 3062889) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine
PubChem CID3062889
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(Oc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-27-18-12-8-16(9-13-18)21-22(17-10-14-19(28-2)15-11-17)25-26-23(24-21)29-20-6-4-3-5-7-20/h3-15H,1-2H3
InChIKeyZYJPJJWBRBGNIA-UHFFFAOYSA-N
XLogP5.02
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine (CID 3062889) is 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine is COc1ccc(-c2nnc(Oc3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine?
The InChIKey is ZYJPJJWBRBGNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-27-18-12-8-16(9-13-18)21-22(17-10-14-19(28-2)15-11-17)25-26-23(24-21)29-20-6-4-3-5-7-20/h3-15H,1-2H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine?
5,6-bis(4-methoxyphenyl)-3-phenoxy-1,2,4-triazine has a molecular weight of 385.42 g/mol, XLogP of 5.02, 6 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-phenoxy-1,2,4-triazine is sourced from PubChem (CID 3062889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).