1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine

C8H5Br3N4 — CID 129354129

IUPAC1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(-c2c(Br)cc(Br)cc2Br)n1
InChIInChI=1S/C8H5Br3N4/c9-4-1-5(10)7(6(11)2-4)15-3-13-8(12)14-15/h1-3H,(H2,12,14)
InChIKeyXIJDCUNLIUXDIX-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.14
Rot. Bonds1

About 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine

1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine (PubChem CID 129354129) has the molecular formula C8H5Br3N4 and a molecular weight of 396.87 g/mol. Its IUPAC name is 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine
PubChem CID129354129
Molecular FormulaC8H5Br3N4
Molecular Weight396.87 g/mol
Exact Mass393.81
IUPAC Name1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(-c2c(Br)cc(Br)cc2Br)n1
InChIInChI=1S/C8H5Br3N4/c9-4-1-5(10)7(6(11)2-4)15-3-13-8(12)14-15/h1-3H,(H2,12,14)
InChIKeyXIJDCUNLIUXDIX-UHFFFAOYSA-N
XLogP3.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine (CID 129354129) is 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine is Nc1ncn(-c2c(Br)cc(Br)cc2Br)n1.
What is the InChIKey of 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine?
The InChIKey is XIJDCUNLIUXDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3N4/c9-4-1-5(10)7(6(11)2-4)15-3-13-8(12)14-15/h1-3H,(H2,12,14).
What are the key properties of 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine?
1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine has a molecular weight of 396.87 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-tribromophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 129354129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).