6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one

C9H7BrClN5O — CID 135609608

IUPAC6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
SMILESNNc1nc(-c2c(Cl)cccc2Br)[nH]c(=O)n1
InChIInChI=1S/C9H7BrClN5O/c10-4-2-1-3-5(11)6(4)7-13-8(16-12)15-9(17)14-7/h1-3H,12H2,(H2,13,14,15,16,17)
InChIKeyHFLTYFVANVVNIK-UHFFFAOYSA-N
MW316.55 g/mol
LogP1.53
Rot. Bonds2

About 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one

6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one (PubChem CID 135609608) has the molecular formula C9H7BrClN5O and a molecular weight of 316.55 g/mol. Its IUPAC name is 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
PubChem CID135609608
Molecular FormulaC9H7BrClN5O
Molecular Weight316.55 g/mol
Exact Mass314.95
IUPAC Name6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
SMILESNNc1nc(-c2c(Cl)cccc2Br)[nH]c(=O)n1
InChIInChI=1S/C9H7BrClN5O/c10-4-2-1-3-5(11)6(4)7-13-8(16-12)15-9(17)14-7/h1-3H,12H2,(H2,13,14,15,16,17)
InChIKeyHFLTYFVANVVNIK-UHFFFAOYSA-N
XLogP1.53
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 51.53
H-Bond Donors ≤ 53
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 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one (CID 135609608) is 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one is NNc1nc(-c2c(Cl)cccc2Br)[nH]c(=O)n1.
What is the InChIKey of 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The InChIKey is HFLTYFVANVVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN5O/c10-4-2-1-3-5(11)6(4)7-13-8(16-12)15-9(17)14-7/h1-3H,12H2,(H2,13,14,15,16,17).
What are the key properties of 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one has a molecular weight of 316.55 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-6-chlorophenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135609608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).