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

C20H14N6 — CID 57405871

IUPAC6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1
InChIInChI=1S/C20H14N6/c1-2-5-15(6-3-1)18-13-22-20-24-23-19(26(20)25-18)12-14-8-9-17-16(11-14)7-4-10-21-17/h1-11,13H,12H2
InChIKeyWVFHUXTXAPZXAI-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.33
Rot. Bonds3

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

6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (PubChem CID 57405871) has the molecular formula C20H14N6 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
PubChem CID57405871
Molecular FormulaC20H14N6
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC Name6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1
InChIInChI=1S/C20H14N6/c1-2-5-15(6-3-1)18-13-22-20-24-23-19(26(20)25-18)12-14-8-9-17-16(11-14)7-4-10-21-17/h1-11,13H,12H2
InChIKeyWVFHUXTXAPZXAI-UHFFFAOYSA-N
XLogP3.33
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (CID 57405871) is 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is c1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.
What is the InChIKey of 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The InChIKey is WVFHUXTXAPZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6/c1-2-5-15(6-3-1)18-13-22-20-24-23-19(26(20)25-18)12-14-8-9-17-16(11-14)7-4-10-21-17/h1-11,13H,12H2.
What are the key properties of 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline has a molecular weight of 338.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is sourced from PubChem (CID 57405871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).