6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione

C10H9BrN4O2 — CID 137176460

IUPAC6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
SMILESO=C1CC(=NNc2ccc(Br)cc2)NC(=O)N1
InChIInChI=1S/C10H9BrN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-4,14H,5H2,(H2,12,13,15,16,17)
InChIKeySZNJCEQNNKQSMI-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.40
Rot. Bonds2

About 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione

6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione (PubChem CID 137176460) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
PubChem CID137176460
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
SMILESO=C1CC(=NNc2ccc(Br)cc2)NC(=O)N1
InChIInChI=1S/C10H9BrN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-4,14H,5H2,(H2,12,13,15,16,17)
InChIKeySZNJCEQNNKQSMI-UHFFFAOYSA-N
XLogP1.40
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione (CID 137176460) is 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione is O=C1CC(=NNc2ccc(Br)cc2)NC(=O)N1.
What is the InChIKey of 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
The InChIKey is SZNJCEQNNKQSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-4,14H,5H2,(H2,12,13,15,16,17).
What are the key properties of 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione?
6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione has a molecular weight of 297.11 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 137176460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).