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

C9H7BrN4 — CID 7176091

IUPAC5-(4-bromophenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14)
InChIKeyYVDVINSIUHWSPX-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.88
Rot. Bonds1

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

5-(4-bromophenyl)-1,2,4-triazin-3-amine (PubChem CID 7176091) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,2,4-triazin-3-amine
PubChem CID7176091
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name5-(4-bromophenyl)-1,2,4-triazin-3-amine
SMILESNc1nncc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14)
InChIKeyYVDVINSIUHWSPX-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-bromophenyl)-1,2,4-triazin-3-amine (CID 7176091) is 5-(4-bromophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-bromophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-bromophenyl)-1,2,4-triazin-3-amine is Nc1nncc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-1,2,4-triazin-3-amine?
The InChIKey is YVDVINSIUHWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14).
What are the key properties of 5-(4-bromophenyl)-1,2,4-triazin-3-amine?
5-(4-bromophenyl)-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 5-(4-bromophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 7176091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).