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

C11H11BrN4 — CID 121221852

IUPAC6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine
SMILESCCc1ccc(-c2nc(N)nnc2Br)cc1
InChIInChI=1S/C11H11BrN4/c1-2-7-3-5-8(6-4-7)9-10(12)15-16-11(13)14-9/h3-6H,2H2,1H3,(H2,13,14,16)
InChIKeyJIKPHRRAIIYTDH-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.45
Rot. Bonds2

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

6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine (PubChem CID 121221852) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine
PubChem CID121221852
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine
SMILESCCc1ccc(-c2nc(N)nnc2Br)cc1
InChIInChI=1S/C11H11BrN4/c1-2-7-3-5-8(6-4-7)9-10(12)15-16-11(13)14-9/h3-6H,2H2,1H3,(H2,13,14,16)
InChIKeyJIKPHRRAIIYTDH-UHFFFAOYSA-N
XLogP2.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.45
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-ethylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine (CID 121221852) is 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine is CCc1ccc(-c2nc(N)nnc2Br)cc1.
What is the InChIKey of 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is JIKPHRRAIIYTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-2-7-3-5-8(6-4-7)9-10(12)15-16-11(13)14-9/h3-6H,2H2,1H3,(H2,13,14,16).
What are the key properties of 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine?
6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 279.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(4-ethylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 121221852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).