[5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine

C15H11Br2N5 — CID 139228441

IUPAC[5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H11Br2N5/c16-11-5-1-9(2-6-11)13-14(21-22-15(19-13)20-18)10-3-7-12(17)8-4-10/h1-8H,18H2,(H,19,20,22)
InChIKeyXECUXRQWRMLINP-UHFFFAOYSA-N
MW421.10 g/mol
LogP4.02
Rot. Bonds3

About [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine

[5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine (PubChem CID 139228441) has the molecular formula C15H11Br2N5 and a molecular weight of 421.10 g/mol. Its IUPAC name is [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine.

Molecular Properties

Compound Name[5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine
PubChem CID139228441
Molecular FormulaC15H11Br2N5
Molecular Weight421.10 g/mol
Exact Mass418.94
IUPAC Name[5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H11Br2N5/c16-11-5-1-9(2-6-11)13-14(21-22-15(19-13)20-18)10-3-7-12(17)8-4-10/h1-8H,18H2,(H,19,20,22)
InChIKeyXECUXRQWRMLINP-UHFFFAOYSA-N
XLogP4.02
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.10
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine?
The IUPAC name of [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine (CID 139228441) is [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine.
What is the SMILES notation for [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine?
The canonical SMILES for [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine is NNc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine?
The InChIKey is XECUXRQWRMLINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N5/c16-11-5-1-9(2-6-11)13-14(21-22-15(19-13)20-18)10-3-7-12(17)8-4-10/h1-8H,18H2,(H,19,20,22).
What are the key properties of [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine?
[5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine has a molecular weight of 421.10 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl]hydrazine is sourced from PubChem (CID 139228441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).