3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C17H13N5 — CID 117058444

IUPAC3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1ccc(-c2nnc3nc(-c4ccccc4)cnn23)cc1
InChIInChI=1S/C17H13N5/c1-12-7-9-14(10-8-12)16-20-21-17-19-15(11-18-22(16)17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyFWGAWYLNOHYSNE-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.16
Rot. Bonds2

About 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 117058444) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID117058444
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1ccc(-c2nnc3nc(-c4ccccc4)cnn23)cc1
InChIInChI=1S/C17H13N5/c1-12-7-9-14(10-8-12)16-20-21-17-19-15(11-18-22(16)17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyFWGAWYLNOHYSNE-UHFFFAOYSA-N
XLogP3.16
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 117058444) is 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Cc1ccc(-c2nnc3nc(-c4ccccc4)cnn23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is FWGAWYLNOHYSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-12-7-9-14(10-8-12)16-20-21-17-19-15(11-18-22(16)17)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 287.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 117058444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).