N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide

C12H9BrN4O3 — CID 29264522

IUPACN'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9BrN4O3/c13-8-4-2-1-3-7(8)11(19)16-17-12(20)9-5-6-10(18)15-14-9/h1-6H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyBRDPFVDUOBHRDE-UHFFFAOYSA-N
MW337.13 g/mol
LogP0.61
Rot. Bonds2

About N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide

N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide (PubChem CID 29264522) has the molecular formula C12H9BrN4O3 and a molecular weight of 337.13 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide
PubChem CID29264522
Molecular FormulaC12H9BrN4O3
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC NameN'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9BrN4O3/c13-8-4-2-1-3-7(8)11(19)16-17-12(20)9-5-6-10(18)15-14-9/h1-6H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyBRDPFVDUOBHRDE-UHFFFAOYSA-N
XLogP0.61
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide (CID 29264522) is N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide is O=C(NNC(=O)c1ccccc1Br)c1ccc(=O)[nH]n1.
What is the InChIKey of N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The InChIKey is BRDPFVDUOBHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O3/c13-8-4-2-1-3-7(8)11(19)16-17-12(20)9-5-6-10(18)15-14-9/h1-6H,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide has a molecular weight of 337.13 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide is sourced from PubChem (CID 29264522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).