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

C15H10BrClN4 — CID 6402475

IUPAC6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClN4/c16-11-5-1-9(2-6-11)13-14(18)19-15(21-20-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,21)
InChIKeyBAARBASMVPSFBE-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.20
Rot. Bonds2

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

6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine (PubChem CID 6402475) has the molecular formula C15H10BrClN4 and a molecular weight of 361.63 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine
PubChem CID6402475
Molecular FormulaC15H10BrClN4
Molecular Weight361.63 g/mol
Exact Mass359.98
IUPAC Name6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClN4/c16-11-5-1-9(2-6-11)13-14(18)19-15(21-20-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,21)
InChIKeyBAARBASMVPSFBE-UHFFFAOYSA-N
XLogP4.20
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine (CID 6402475) is 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine is Nc1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is BAARBASMVPSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN4/c16-11-5-1-9(2-6-11)13-14(18)19-15(21-20-13)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,21).
What are the key properties of 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine?
6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 361.63 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-(4-chlorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 6402475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).