2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide

C12H11BrN4O2 — CID 132541270

IUPAC2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C12H11BrN4O2/c13-9-3-1-8(2-4-9)10-5-6-12(19)17(16-10)7-11(18)15-14/h1-6H,7,14H2,(H,15,18)
InChIKeyWOUHHYVFCGWMAT-UHFFFAOYSA-N
MW323.15 g/mol
LogP0.66
Rot. Bonds3

About 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide (PubChem CID 132541270) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide
PubChem CID132541270
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C12H11BrN4O2/c13-9-3-1-8(2-4-9)10-5-6-12(19)17(16-10)7-11(18)15-14/h1-6H,7,14H2,(H,15,18)
InChIKeyWOUHHYVFCGWMAT-UHFFFAOYSA-N
XLogP0.66
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-(4-Bromophenyl)-2,3-dihydropyridazin-3-one
CID 689073
2-(3-(4-Bromophenyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7663464
4-Amino-6-(4-bromophenyl)-5-ethenyl-2-methylpyridazin-3-one
CID 16756090
2-Allyl-6-(4-bromophenyl)pyridazin-3-one
CID 45519746
6-(4-Bromophenyl)-2-prop-2-ynyl-pyridazin-3-one
CID 45519747
N-[(E)-(4-bromophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71466626
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71598179
2-(3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl)acetonitrile
CID 7663563
2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)acetohydrazide
CID 95560141
2-[(6-Phenyl-3-oxo-2h-pyridazin-2-yl)acetyl]hydrazinecarbothioamide
CID 129883180
2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide
CID 139226150
6-(4-bromophenyl)-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]pyridazin-3-one
CID 139226169

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide?
The IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide (CID 132541270) is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide?
The canonical SMILES for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide is NNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide?
The InChIKey is WOUHHYVFCGWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c13-9-3-1-8(2-4-9)10-5-6-12(19)17(16-10)7-11(18)15-14/h1-6H,7,14H2,(H,15,18).
What are the key properties of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide?
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide has a molecular weight of 323.15 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetohydrazide is sourced from PubChem (CID 132541270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).