3,6-diphenyl-1,2,4-triazine

C15H11N3 — CID 6617829

IUPAC3,6-diphenyl-1,2,4-triazine
SMILESc1ccc(-c2cnc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-11-16-15(18-17-14)13-9-5-2-6-10-13/h1-11H
InChIKeyLRGATPZENUYRBP-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.21
Rot. Bonds2

About 3,6-diphenyl-1,2,4-triazine

3,6-diphenyl-1,2,4-triazine (PubChem CID 6617829) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3,6-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name3,6-diphenyl-1,2,4-triazine
PubChem CID6617829
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name3,6-diphenyl-1,2,4-triazine
SMILESc1ccc(-c2cnc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-11-16-15(18-17-14)13-9-5-2-6-10-13/h1-11H
InChIKeyLRGATPZENUYRBP-UHFFFAOYSA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,2,4-triazine?
The IUPAC name of 3,6-diphenyl-1,2,4-triazine (CID 6617829) is 3,6-diphenyl-1,2,4-triazine.
What is the SMILES notation for 3,6-diphenyl-1,2,4-triazine?
The canonical SMILES for 3,6-diphenyl-1,2,4-triazine is c1ccc(-c2cnc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3,6-diphenyl-1,2,4-triazine?
The InChIKey is LRGATPZENUYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-3-7-12(8-4-1)14-11-16-15(18-17-14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 3,6-diphenyl-1,2,4-triazine?
3,6-diphenyl-1,2,4-triazine has a molecular weight of 233.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,2,4-triazine is sourced from PubChem (CID 6617829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).