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

C17H11BrFN5 — CID 11451912

IUPAC6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(Cc2nnc3ncc(-c4ccc(Br)cc4)nn23)cc1
InChIInChI=1S/C17H11BrFN5/c18-13-5-3-12(4-6-13)15-10-20-17-22-21-16(24(17)23-15)9-11-1-7-14(19)8-2-11/h1-8,10H,9H2
InChIKeyXQECKOJJXSYKLH-UHFFFAOYSA-N
MW384.21 g/mol
LogP3.68
Rot. Bonds3

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

6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 11451912) has the molecular formula C17H11BrFN5 and a molecular weight of 384.21 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID11451912
Molecular FormulaC17H11BrFN5
Molecular Weight384.21 g/mol
Exact Mass383.02
IUPAC Name6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESFc1ccc(Cc2nnc3ncc(-c4ccc(Br)cc4)nn23)cc1
InChIInChI=1S/C17H11BrFN5/c18-13-5-3-12(4-6-13)15-10-20-17-22-21-16(24(17)23-15)9-11-1-7-14(19)8-2-11/h1-8,10H,9H2
InChIKeyXQECKOJJXSYKLH-UHFFFAOYSA-N
XLogP3.68
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine with MolForge

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
2-(4-Bromophenyl)imidazo[2,1-a]phthalazin-6-amine
CID 3673394
6-(4-Fluorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 618001
6-(4-Ethylphenyl)-2-phenylimidazo[1,2-b][1,2,4]triazine
CID 627189
3-Bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3638695
5-[(4-Bromophenyl)methyl]-2-(3-fluorophenyl)imidazo[4,5-c]pyridine
CID 10045421
5-[(4-Bromophenyl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
CID 10362465
5-[(4-Bromophenyl)methyl]-2-(4-fluorophenyl)imidazo[4,5-c]pyridine
CID 16077342
2,3-Dimethyl-6-phenylimidazo[1,2-b][1,2,4]triazine
CID 614255
2,6-Diphenylimidazo[1,2-b][1,2,4]triazine
CID 623378
2-Phenyl-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 619518
2-(4-Bromophenyl)-6,7,8,9-tetrahydroimidazo[1,2-b][1,2,4]benzotriazine
CID 630093

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 11451912) is 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Fc1ccc(Cc2nnc3ncc(-c4ccc(Br)cc4)nn23)cc1.
What is the InChIKey of 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is XQECKOJJXSYKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5/c18-13-5-3-12(4-6-13)15-10-20-17-22-21-16(24(17)23-15)9-11-1-7-14(19)8-2-11/h1-8,10H,9H2.
What are the key properties of 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 384.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 11451912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).