6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline

C20H12F2N6 — CID 57406399

IUPAC6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3ccccc3)nn12
InChIInChI=1S/C20H12F2N6/c21-20(22,15-8-9-16-14(11-15)7-4-10-23-16)18-25-26-19-24-12-17(27-28(18)19)13-5-2-1-3-6-13/h1-12H
InChIKeyQGSKEQKZHYYCMA-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.87
Rot. Bonds3

About 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline

6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (PubChem CID 57406399) has the molecular formula C20H12F2N6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
PubChem CID57406399
Molecular FormulaC20H12F2N6
Molecular Weight374.35 g/mol
Exact Mass374.11
IUPAC Name6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3ccccc3)nn12
InChIInChI=1S/C20H12F2N6/c21-20(22,15-8-9-16-14(11-15)7-4-10-23-16)18-25-26-19-24-12-17(27-28(18)19)13-5-2-1-3-6-13/h1-12H
InChIKeyQGSKEQKZHYYCMA-UHFFFAOYSA-N
XLogP3.87
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (CID 57406399) is 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is FC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3ccccc3)nn12.
What is the InChIKey of 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The InChIKey is QGSKEQKZHYYCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N6/c21-20(22,15-8-9-16-14(11-15)7-4-10-23-16)18-25-26-19-24-12-17(27-28(18)19)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline has a molecular weight of 374.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is sourced from PubChem (CID 57406399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).