3,5,6-triphenyl-1,2,4-triazine

C21H15N3 — CID 6409950

IUPAC3,5,6-triphenyl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-24-21(22-19)18-14-8-3-9-15-18/h1-15H
InChIKeyIMJWQBWRRPZDAZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.87
Rot. Bonds3

About 3,5,6-triphenyl-1,2,4-triazine

3,5,6-triphenyl-1,2,4-triazine (PubChem CID 6409950) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3,5,6-triphenyl-1,2,4-triazine.

Molecular Properties

Compound Name3,5,6-triphenyl-1,2,4-triazine
PubChem CID6409950
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name3,5,6-triphenyl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-24-21(22-19)18-14-8-3-9-15-18/h1-15H
InChIKeyIMJWQBWRRPZDAZ-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-triphenyl-1,2,4-triazine?
The IUPAC name of 3,5,6-triphenyl-1,2,4-triazine (CID 6409950) is 3,5,6-triphenyl-1,2,4-triazine.
What is the SMILES notation for 3,5,6-triphenyl-1,2,4-triazine?
The canonical SMILES for 3,5,6-triphenyl-1,2,4-triazine is c1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,5,6-triphenyl-1,2,4-triazine?
The InChIKey is IMJWQBWRRPZDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-24-21(22-19)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 3,5,6-triphenyl-1,2,4-triazine?
3,5,6-triphenyl-1,2,4-triazine has a molecular weight of 309.37 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-triphenyl-1,2,4-triazine is sourced from PubChem (CID 6409950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).