6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine

C9H7Br2N5 — CID 12852439

IUPAC6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc(Br)ccc2Br)n1
InChIInChI=1S/C9H7Br2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKeyGZKVTJOEGGXBBF-UHFFFAOYSA-N
MW345.00 g/mol
LogP2.23
Rot. Bonds1

About 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine

6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 12852439) has the molecular formula C9H7Br2N5 and a molecular weight of 345.00 g/mol. Its IUPAC name is 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID12852439
Molecular FormulaC9H7Br2N5
Molecular Weight345.00 g/mol
Exact Mass342.91
IUPAC Name6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cc(Br)ccc2Br)n1
InChIInChI=1S/C9H7Br2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
InChIKeyGZKVTJOEGGXBBF-UHFFFAOYSA-N
XLogP2.23
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.00
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine (CID 12852439) is 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cc(Br)ccc2Br)n1.
What is the InChIKey of 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GZKVTJOEGGXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16).
What are the key properties of 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine?
6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 345.00 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dibromophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12852439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).