3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C17H12FN5 — CID 11243660

IUPAC3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C17H12FN5/c18-14-8-6-12(7-9-14)10-16-20-21-17-19-11-15(22-23(16)17)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyVNQBFEFQEKDALB-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.92
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 11243660) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID11243660
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C17H12FN5/c18-14-8-6-12(7-9-14)10-16-20-21-17-19-11-15(22-23(16)17)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyVNQBFEFQEKDALB-UHFFFAOYSA-N
XLogP2.92
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 11243660) is 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Fc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is VNQBFEFQEKDALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c18-14-8-6-12(7-9-14)10-16-20-21-17-19-11-15(22-23(16)17)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 305.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 11243660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).