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

C17H15N3O2 — CID 24847126

IUPAC5,6-bis(2-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccccc1-c1ncnnc1-c1ccccc1OC
InChIInChI=1S/C17H15N3O2/c1-21-14-9-5-3-7-12(14)16-17(20-19-11-18-16)13-8-4-6-10-15(13)22-2/h3-11H,1-2H3
InChIKeyPQQJVYQBIHZMLI-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.22
Rot. Bonds4

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

5,6-bis(2-methoxyphenyl)-1,2,4-triazine (PubChem CID 24847126) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5,6-bis(2-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(2-methoxyphenyl)-1,2,4-triazine
PubChem CID24847126
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5,6-bis(2-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccccc1-c1ncnnc1-c1ccccc1OC
InChIInChI=1S/C17H15N3O2/c1-21-14-9-5-3-7-12(14)16-17(20-19-11-18-16)13-8-4-6-10-15(13)22-2/h3-11H,1-2H3
InChIKeyPQQJVYQBIHZMLI-UHFFFAOYSA-N
XLogP3.22
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 5,6-bis(2-methoxyphenyl)-1,2,4-triazine (CID 24847126) is 5,6-bis(2-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(2-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 5,6-bis(2-methoxyphenyl)-1,2,4-triazine is COc1ccccc1-c1ncnnc1-c1ccccc1OC.
What is the InChIKey of 5,6-bis(2-methoxyphenyl)-1,2,4-triazine?
The InChIKey is PQQJVYQBIHZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-21-14-9-5-3-7-12(14)16-17(20-19-11-18-16)13-8-4-6-10-15(13)22-2/h3-11H,1-2H3.
What are the key properties of 5,6-bis(2-methoxyphenyl)-1,2,4-triazine?
5,6-bis(2-methoxyphenyl)-1,2,4-triazine has a molecular weight of 293.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 24847126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).