8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C55H39Br5ClFN24O — CID 158939278

IUPAC8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1ccc(-c2nc(N)n3cnnc3c2Br)o1.Nc1nc(-c2ccc(Cl)cc2)c(Br)c2nncn12.Nc1nc(-c2ccc(F)cc2)c(Br)c2nncn12.Nc1nc(-c2ccccc2)c(Br)c2nccn12.Nc1nc(-c2ccccc2)c(Br)c2nncn12
InChIInChI=1S/C12H9BrN4.C11H7BrClN5.C11H7BrFN5.C11H8BrN5.C10H8BrN5O/c13-9-10(8-4-2-1-3-5-8)16-12(14)17-7-6-15-11(9)17;2*12-8-9(6-1-3-7(13)4-2-6)16-11(14)18-5-15-17-10(8)18;12-8-9(7-4-2-1-3-5-7)15-11(13)17-6-14-16-10(8)17;1-5-2-3-6(17-5)8-7(11)9-15-13-4-16(9)10(12)14-8/h1-7H,(H2,14,16);2*1-5H,(H2,14,16);1-6H,(H2,13,15);2-4H,1H3,(H2,12,14)
InChIKeyJKAUDJTWMXKIHI-UHFFFAOYSA-N
MW1506.05 g/mol
LogP11.98
Rot. Bonds5

About 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 158939278) has the molecular formula C55H39Br5ClFN24O and a molecular weight of 1506.05 g/mol. Its IUPAC name is 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID158939278
Molecular FormulaC55H39Br5ClFN24O
Molecular Weight1506.05 g/mol
Exact Mass1499.93
IUPAC Name8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1ccc(-c2nc(N)n3cnnc3c2Br)o1.Nc1nc(-c2ccc(Cl)cc2)c(Br)c2nncn12.Nc1nc(-c2ccc(F)cc2)c(Br)c2nncn12.Nc1nc(-c2ccccc2)c(Br)c2nccn12.Nc1nc(-c2ccccc2)c(Br)c2nncn12
InChIInChI=1S/C12H9BrN4.C11H7BrClN5.C11H7BrFN5.C11H8BrN5.C10H8BrN5O/c13-9-10(8-4-2-1-3-5-8)16-12(14)17-7-6-15-11(9)17;2*12-8-9(6-1-3-7(13)4-2-6)16-11(14)18-5-15-17-10(8)18;12-8-9(7-4-2-1-3-5-7)15-11(13)17-6-14-16-10(8)17;1-5-2-3-6(17-5)8-7(11)9-15-13-4-16(9)10(12)14-8/h1-7H,(H2,14,16);2*1-5H,(H2,14,16);1-6H,(H2,13,15);2-4H,1H3,(H2,12,14)
InChIKeyJKAUDJTWMXKIHI-UHFFFAOYSA-N
XLogP11.98
TPSA345.75 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds5
Heavy Atoms87
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.05
LogP ≤ 511.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 158939278) is 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1ccc(-c2nc(N)n3cnnc3c2Br)o1.Nc1nc(-c2ccc(Cl)cc2)c(Br)c2nncn12.Nc1nc(-c2ccc(F)cc2)c(Br)c2nncn12.Nc1nc(-c2ccccc2)c(Br)c2nccn12.Nc1nc(-c2ccccc2)c(Br)c2nncn12.
What is the InChIKey of 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is JKAUDJTWMXKIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4.C11H7BrClN5.C11H7BrFN5.C11H8BrN5.C10H8BrN5O/c13-9-10(8-4-2-1-3-5-8)16-12(14)17-7-6-15-11(9)17;2*12-8-9(6-1-3-7(13)4-2-6)16-11(14)18-5-15-17-10(8)18;12-8-9(7-4-2-1-3-5-7)15-11(13)17-6-14-16-10(8)17;1-5-2-3-6(17-5)8-7(11)9-15-13-4-16(9)10(12)14-8/h1-7H,(H2,14,16);2*1-5H,(H2,14,16);1-6H,(H2,13,15);2-4H,1H3,(H2,12,14).
What are the key properties of 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1506.05 g/mol, XLogP of 11.98, 5 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-bromo-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 158939278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).