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

C17H15N3O2 — CID 68788579

IUPAC3,6-bis(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnc(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C17H15N3O2/c1-21-14-7-3-12(4-8-14)16-11-18-17(20-19-16)13-5-9-15(22-2)10-6-13/h3-11H,1-2H3
InChIKeyUJVGSGJZNSFUOO-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.22
Rot. Bonds4

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

3,6-bis(4-methoxyphenyl)-1,2,4-triazine (PubChem CID 68788579) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,6-bis(4-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-bis(4-methoxyphenyl)-1,2,4-triazine
PubChem CID68788579
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3,6-bis(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnc(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C17H15N3O2/c1-21-14-7-3-12(4-8-14)16-11-18-17(20-19-16)13-5-9-15(22-2)10-6-13/h3-11H,1-2H3
InChIKeyUJVGSGJZNSFUOO-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 3,6-bis(4-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3,6-bis(4-methoxyphenyl)-1,2,4-triazine (CID 68788579) is 3,6-bis(4-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3,6-bis(4-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3,6-bis(4-methoxyphenyl)-1,2,4-triazine is COc1ccc(-c2cnc(-c3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 3,6-bis(4-methoxyphenyl)-1,2,4-triazine?
The InChIKey is UJVGSGJZNSFUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-21-14-7-3-12(4-8-14)16-11-18-17(20-19-16)13-5-9-15(22-2)10-6-13/h3-11H,1-2H3.
What are the key properties of 3,6-bis(4-methoxyphenyl)-1,2,4-triazine?
3,6-bis(4-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 3,6-bis(4-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 68788579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).