2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine

C15H11N7 — CID 687924

IUPAC2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C15H11N7/c1-2-4-12(5-3-1)13-18-14(21-8-6-16-10-21)20-15(19-13)22-9-7-17-11-22/h1-11H
InChIKeyUWWDQJRBOHTCEV-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.91
Rot. Bonds3

About 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine

2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 687924) has the molecular formula C15H11N7 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID687924
Molecular FormulaC15H11N7
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C15H11N7/c1-2-4-12(5-3-1)13-18-14(21-8-6-16-10-21)20-15(19-13)22-9-7-17-11-22/h1-11H
InChIKeyUWWDQJRBOHTCEV-UHFFFAOYSA-N
XLogP1.91
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine (CID 687924) is 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1.
What is the InChIKey of 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is UWWDQJRBOHTCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7/c1-2-4-12(5-3-1)13-18-14(21-8-6-16-10-21)20-15(19-13)22-9-7-17-11-22/h1-11H.
What are the key properties of 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine?
2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 289.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(imidazol-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 687924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).