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

C21H17N3 — CID 14868159

IUPAC2,5,6-triphenyl-3H-1,2,4-triazine
SMILESc1ccc(C2=NCN(c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C21H17N3/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-24(16-22-20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyGMQJRWPONHNBKL-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.36
Rot. Bonds3

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

2,5,6-triphenyl-3H-1,2,4-triazine (PubChem CID 14868159) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2,5,6-triphenyl-3H-1,2,4-triazine.

Molecular Properties

Compound Name2,5,6-triphenyl-3H-1,2,4-triazine
PubChem CID14868159
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2,5,6-triphenyl-3H-1,2,4-triazine
SMILESc1ccc(C2=NCN(c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C21H17N3/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-24(16-22-20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyGMQJRWPONHNBKL-UHFFFAOYSA-N
XLogP4.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-triphenyl-3H-1,2,4-triazine?
The IUPAC name of 2,5,6-triphenyl-3H-1,2,4-triazine (CID 14868159) is 2,5,6-triphenyl-3H-1,2,4-triazine.
What is the SMILES notation for 2,5,6-triphenyl-3H-1,2,4-triazine?
The canonical SMILES for 2,5,6-triphenyl-3H-1,2,4-triazine is c1ccc(C2=NCN(c3ccccc3)N=C2c2ccccc2)cc1.
What is the InChIKey of 2,5,6-triphenyl-3H-1,2,4-triazine?
The InChIKey is GMQJRWPONHNBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-24(16-22-20)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 2,5,6-triphenyl-3H-1,2,4-triazine?
2,5,6-triphenyl-3H-1,2,4-triazine has a molecular weight of 311.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-triphenyl-3H-1,2,4-triazine is sourced from PubChem (CID 14868159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).