5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide

C5H5BrN4O2 — CID 178014551

IUPAC5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESNNC(=O)c1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C5H5BrN4O2/c6-2-1-3(5(12)8-7)9-10-4(2)11/h1H,7H2,(H,8,12)(H,10,11)
InChIKeyFPVQPCBNTKWQHW-UHFFFAOYSA-N
MW233.02 g/mol
LogP-0.86
Rot. Bonds1

About 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide

5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide (PubChem CID 178014551) has the molecular formula C5H5BrN4O2 and a molecular weight of 233.02 g/mol. Its IUPAC name is 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide
PubChem CID178014551
Molecular FormulaC5H5BrN4O2
Molecular Weight233.02 g/mol
Exact Mass231.96
IUPAC Name5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESNNC(=O)c1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C5H5BrN4O2/c6-2-1-3(5(12)8-7)9-10-4(2)11/h1H,7H2,(H,8,12)(H,10,11)
InChIKeyFPVQPCBNTKWQHW-UHFFFAOYSA-N
XLogP-0.86
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2H-triazole-4-carbohydrazide
CID 50989778
5-bromo-3-ethyl-1H-pyridazin-6-one
CID 117106895
5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbohydrazide
CID 121020856
5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55236529
5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
CID 117104948
3-(1-aminocyclopropyl)-5-bromo-1H-pyridazin-6-one
CID 84793445
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976
1-[2-(5-bromo-2,4-dioxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63778164
3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
CID 163353826
6-oxo-1H-pyridazine-5-carbohydrazide
CID 45122800
5-chloro-6-oxo-1H-pyridine-3-carbohydrazide
CID 130843008
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide?
The IUPAC name of 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide (CID 178014551) is 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide?
The canonical SMILES for 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide is NNC(=O)c1cc(Br)c(=O)[nH]n1.
What is the InChIKey of 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide?
The InChIKey is FPVQPCBNTKWQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN4O2/c6-2-1-3(5(12)8-7)9-10-4(2)11/h1H,7H2,(H,8,12)(H,10,11).
What are the key properties of 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide?
5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide has a molecular weight of 233.02 g/mol, XLogP of -0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide is sourced from PubChem (CID 178014551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).