3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine

C15H11BrN4 — CID 6403257

IUPAC3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine
SMILESNc1nc(-c2cccc(Br)c2)nnc1-c1ccccc1
InChIInChI=1S/C15H11BrN4/c16-12-8-4-7-11(9-12)15-18-14(17)13(19-20-15)10-5-2-1-3-6-10/h1-9H,(H2,17,18,20)
InChIKeyGXFYIOYOCXPSIF-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.55
Rot. Bonds2

About 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine

3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine (PubChem CID 6403257) has the molecular formula C15H11BrN4 and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine
PubChem CID6403257
Molecular FormulaC15H11BrN4
Molecular Weight327.19 g/mol
Exact Mass326.02
IUPAC Name3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine
SMILESNc1nc(-c2cccc(Br)c2)nnc1-c1ccccc1
InChIInChI=1S/C15H11BrN4/c16-12-8-4-7-11(9-12)15-18-14(17)13(19-20-15)10-5-2-1-3-6-10/h1-9H,(H2,17,18,20)
InChIKeyGXFYIOYOCXPSIF-UHFFFAOYSA-N
XLogP3.55
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine (CID 6403257) is 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine is Nc1nc(-c2cccc(Br)c2)nnc1-c1ccccc1.
What is the InChIKey of 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine?
The InChIKey is GXFYIOYOCXPSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4/c16-12-8-4-7-11(9-12)15-18-14(17)13(19-20-15)10-5-2-1-3-6-10/h1-9H,(H2,17,18,20).
What are the key properties of 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine?
3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine has a molecular weight of 327.19 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6403257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).