N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide

C11H9BrClN5O2 — CID 135609572

IUPACN-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(-c2c(Cl)cccc2Br)[nH]c(=O)n1
InChIInChI=1S/C11H9BrClN5O2/c1-5(19)18(14)10-15-9(16-11(20)17-10)8-6(12)3-2-4-7(8)13/h2-4H,14H2,1H3,(H,15,16,17,20)
InChIKeyXXKHBZRHIMCLOF-UHFFFAOYSA-N
MW358.58 g/mol
LogP1.47
Rot. Bonds2

About N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide

N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide (PubChem CID 135609572) has the molecular formula C11H9BrClN5O2 and a molecular weight of 358.58 g/mol. Its IUPAC name is N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide.

Molecular Properties

Compound NameN-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide
PubChem CID135609572
Molecular FormulaC11H9BrClN5O2
Molecular Weight358.58 g/mol
Exact Mass356.96
IUPAC NameN-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide
SMILESCC(=O)N(N)c1nc(-c2c(Cl)cccc2Br)[nH]c(=O)n1
InChIInChI=1S/C11H9BrClN5O2/c1-5(19)18(14)10-15-9(16-11(20)17-10)8-6(12)3-2-4-7(8)13/h2-4H,14H2,1H3,(H,15,16,17,20)
InChIKeyXXKHBZRHIMCLOF-UHFFFAOYSA-N
XLogP1.47
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide?
The IUPAC name of N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide (CID 135609572) is N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide.
What is the SMILES notation for N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide?
The canonical SMILES for N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide is CC(=O)N(N)c1nc(-c2c(Cl)cccc2Br)[nH]c(=O)n1.
What is the InChIKey of N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide?
The InChIKey is XXKHBZRHIMCLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN5O2/c1-5(19)18(14)10-15-9(16-11(20)17-10)8-6(12)3-2-4-7(8)13/h2-4H,14H2,1H3,(H,15,16,17,20).
What are the key properties of N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide?
N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide has a molecular weight of 358.58 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-6-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]acetohydrazide is sourced from PubChem (CID 135609572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).