5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine

C20H14N4 — CID 6409328

IUPAC5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccncc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H14N4/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-24-20(22-18)17-11-13-21-14-12-17/h1-14H
InChIKeyHSJXYUNRWXCLBY-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.27
Rot. Bonds3

About 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine

5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine (PubChem CID 6409328) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine
PubChem CID6409328
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3ccncc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H14N4/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-24-20(22-18)17-11-13-21-14-12-17/h1-14H
InChIKeyHSJXYUNRWXCLBY-UHFFFAOYSA-N
XLogP4.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine?
The IUPAC name of 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine (CID 6409328) is 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine.
What is the SMILES notation for 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine?
The canonical SMILES for 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine is c1ccc(-c2nnc(-c3ccncc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine?
The InChIKey is HSJXYUNRWXCLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-24-20(22-18)17-11-13-21-14-12-17/h1-14H.
What are the key properties of 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine?
5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine has a molecular weight of 310.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-3-pyridin-4-yl-1,2,4-triazine is sourced from PubChem (CID 6409328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).