6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine

C10H9BrN4 — CID 121267630

IUPAC6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2nc(N)nnc2Br)cc1
InChIInChI=1S/C10H9BrN4/c1-6-2-4-7(5-3-6)8-9(11)14-15-10(12)13-8/h2-5H,1H3,(H2,12,13,15)
InChIKeyBLCWRJUOQOCYBP-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.19
Rot. Bonds1

About 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine

6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 121267630) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID121267630
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2nc(N)nnc2Br)cc1
InChIInChI=1S/C10H9BrN4/c1-6-2-4-7(5-3-6)8-9(11)14-15-10(12)13-8/h2-5H,1H3,(H2,12,13,15)
InChIKeyBLCWRJUOQOCYBP-UHFFFAOYSA-N
XLogP2.19
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Diphenyl-1,2,4-triazin-3-amine
CID 78268
3-Hydrazino-5,6-diphenyl-1,2,4-triazine
CID 601464
5-(4-Bromophenyl)-1,2,4-triazin-3-amine
CID 7176091
6-(4-Tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 44531117
6-(3,5-Dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353232
6-Phenyl-1,2,4-triazine-3,5-diamine
CID 21814735
3,5-Diamino-6-[p-trifluoromethylphenyl]-1,2,4-triazine
CID 604039
3,5-Diamino-6-[m-trifluoromethylphenyl]-1,2,4-triazine
CID 604040
as-triazine-3-thione, 5,6-diphenyl-, ammonium salt
CID 3043862
5-(4-Methylphenyl)-1,2,4-triazin-3-amine
CID 7176093
6-(3,4-Dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 12306579
US10988455, Example 1(ccxii)
CID 87371875

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine (CID 121267630) is 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine is Cc1ccc(-c2nc(N)nnc2Br)cc1.
What is the InChIKey of 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is BLCWRJUOQOCYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c1-6-2-4-7(5-3-6)8-9(11)14-15-10(12)13-8/h2-5H,1H3,(H2,12,13,15).
What are the key properties of 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine?
6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 265.11 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(4-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 121267630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).