2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine

C23H16N4 — CID 702952

IUPAC2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
SMILESc1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1
InChIInChI=1S/C23H16N4/c1-4-10-17(11-5-1)20-16-27-23(24-20)25-21(18-12-6-2-7-13-18)22(26-27)19-14-8-3-9-15-19/h1-16H
InChIKeyCGLIDRNLWKCDLU-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.13
Rot. Bonds3

About 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine

2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine (PubChem CID 702952) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
PubChem CID702952
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC Name2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine
SMILESc1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1
InChIInChI=1S/C23H16N4/c1-4-10-17(11-5-1)20-16-27-23(24-20)25-21(18-12-6-2-7-13-18)22(26-27)19-14-8-3-9-15-19/h1-16H
InChIKeyCGLIDRNLWKCDLU-UHFFFAOYSA-N
XLogP5.13
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine (CID 702952) is 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine is c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1.
What is the InChIKey of 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is CGLIDRNLWKCDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c1-4-10-17(11-5-1)20-16-27-23(24-20)25-21(18-12-6-2-7-13-18)22(26-27)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine?
2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 348.41 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triphenylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 702952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).