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

C10H8BrFN4 — CID 116823505

IUPAC6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2cc(Br)ccc2F)c(N)n1
InChIInChI=1S/C10H8BrFN4/c1-5-14-10(13)9(16-15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H2,13,14,15)
InChIKeyNXRRCZTVLDIOQD-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.33
Rot. Bonds1

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

6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine (PubChem CID 116823505) has the molecular formula C10H8BrFN4 and a molecular weight of 283.10 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine
PubChem CID116823505
Molecular FormulaC10H8BrFN4
Molecular Weight283.10 g/mol
Exact Mass281.99
IUPAC Name6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2cc(Br)ccc2F)c(N)n1
InChIInChI=1S/C10H8BrFN4/c1-5-14-10(13)9(16-15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H2,13,14,15)
InChIKeyNXRRCZTVLDIOQD-UHFFFAOYSA-N
XLogP2.33
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Bromophenyl)-5-(4-methyl-1-piperazinyl)-6-phenyl-1,2,4-triazine
CID 6402465
6-(4-Bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine
CID 6402475
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
5-Bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
CID 157471762
3-(4-Bromophenyl)-5,6-diphenyl-1,2,4-triazine
CID 6406861
N-methyl-3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-amine
CID 6404515
3-Methyl-6-phenyl-1,2,4-triazine-5-carbonitrile
CID 15323455
6-(3-Bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 44531118
US10988455, Example 1(ccxii)
CID 87371875
5-Bromo-2-methyl-8-phenyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
CID 157612162

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine (CID 116823505) is 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine is Cc1nnc(-c2cc(Br)ccc2F)c(N)n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine?
The InChIKey is NXRRCZTVLDIOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4/c1-5-14-10(13)9(16-15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H2,13,14,15).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine?
6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine has a molecular weight of 283.10 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-3-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).