6-bromo-5-phenyl-1,2,4-triazin-3-amine

C9H7BrN4 — CID 86676114

IUPAC6-bromo-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(Br)c(-c2ccccc2)n1
InChIInChI=1S/C9H7BrN4/c10-8-7(12-9(11)14-13-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12,14)
InChIKeyHDABPGYKVQWCNG-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.88
Rot. Bonds1

About 6-bromo-5-phenyl-1,2,4-triazin-3-amine

6-bromo-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 86676114) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 6-bromo-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-bromo-5-phenyl-1,2,4-triazin-3-amine
PubChem CID86676114
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name6-bromo-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(Br)c(-c2ccccc2)n1
InChIInChI=1S/C9H7BrN4/c10-8-7(12-9(11)14-13-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12,14)
InChIKeyHDABPGYKVQWCNG-UHFFFAOYSA-N
XLogP1.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.88
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
5-Phenyl-1,2,4-triazin-3-amine
CID 97081
3-Hydrazino-5,6-diphenyl-1,2,4-triazine
CID 601464
3-Chloro-5,6-diphenyl-1,2,4-triazine
CID 288439
5-(4-Bromophenyl)-1,2,4-triazin-3-amine
CID 7176091
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
5-Phenyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 53354629
as-triazine-3-thione, 5,6-diphenyl-, ammonium salt
CID 3043862
6-(3-Bromo-4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 44531118

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-bromo-5-phenyl-1,2,4-triazin-3-amine (CID 86676114) is 6-bromo-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-bromo-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-bromo-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(Br)c(-c2ccccc2)n1.
What is the InChIKey of 6-bromo-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is HDABPGYKVQWCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-8-7(12-9(11)14-13-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12,14).
What are the key properties of 6-bromo-5-phenyl-1,2,4-triazin-3-amine?
6-bromo-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 251.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 86676114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).