4-bromo-5-hydrazinyl-2-methylpyridazin-3-one

C5H7BrN4O — CID 114443868

IUPAC4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
SMILESCn1ncc(NN)c(Br)c1=O
InChIInChI=1S/C5H7BrN4O/c1-10-5(11)4(6)3(9-7)2-8-10/h2,9H,7H2,1H3
InChIKeyQGCIMXJIKIMZOM-UHFFFAOYSA-N
MW219.04 g/mol
LogP-0.17
Rot. Bonds1

About 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one

4-bromo-5-hydrazinyl-2-methylpyridazin-3-one (PubChem CID 114443868) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
PubChem CID114443868
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
SMILESCn1ncc(NN)c(Br)c1=O
InChIInChI=1S/C5H7BrN4O/c1-10-5(11)4(6)3(9-7)2-8-10/h2,9H,7H2,1H3
InChIKeyQGCIMXJIKIMZOM-UHFFFAOYSA-N
XLogP-0.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
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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Related Compounds

4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one
CID 106329404
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446694
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
CID 115624079
4-bromo-5-[(4-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 103844308
2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanoic acid
CID 169493711
4-bromo-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpyridazin-3-one
CID 115681121
4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446718
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
5-[(1-amino-2,4-dimethylpentan-2-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one (CID 114443868) is 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one is Cn1ncc(NN)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one?
The InChIKey is QGCIMXJIKIMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-10-5(11)4(6)3(9-7)2-8-10/h2,9H,7H2,1H3.
What are the key properties of 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one?
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one has a molecular weight of 219.04 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-hydrazinyl-2-methylpyridazin-3-one is sourced from PubChem (CID 114443868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).