2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide

C12H14BrN5O2 — CID 139226150

IUPAC2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide
SMILESNNC(=O)CNC1CC(c2ccc(Br)cc2)=NNC1=O
InChIInChI=1S/C12H14BrN5O2/c13-8-3-1-7(2-4-8)9-5-10(12(20)18-17-9)15-6-11(19)16-14/h1-4,10,15H,5-6,14H2,(H,16,19)(H,18,20)
InChIKeyHSDWEOPJWHFJJK-UHFFFAOYSA-N
MW340.18 g/mol
LogP-0.38
Rot. Bonds4

About 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide

2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide (PubChem CID 139226150) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide.

Molecular Properties

Compound Name2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide
PubChem CID139226150
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide
SMILESNNC(=O)CNC1CC(c2ccc(Br)cc2)=NNC1=O
InChIInChI=1S/C12H14BrN5O2/c13-8-3-1-7(2-4-8)9-5-10(12(20)18-17-9)15-6-11(19)16-14/h1-4,10,15H,5-6,14H2,(H,16,19)(H,18,20)
InChIKeyHSDWEOPJWHFJJK-UHFFFAOYSA-N
XLogP-0.38
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
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)-4,5-dihydropyridazin-3(2H)-one
CID 689108
(2S)-N-[(E)-(4-bromophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 9697572
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-yl]acetohydrazide
CID 132541270
3-(4-bromophenyl)-5-[[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]amino]-4,5-dihydro-1H-pyridazin-6-one
CID 139226151
3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one
CID 139226153
2-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
CID 6612443
1-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-4-yl]azepan-2-one
CID 69552084
5-(4-bromophenyl)-2-piperidin-4-yl-4H-pyrazol-3-one
CID 159212011
N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide
CID 778107
N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3484835

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide?
The IUPAC name of 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide (CID 139226150) is 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide.
What is the SMILES notation for 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide?
The canonical SMILES for 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide is NNC(=O)CNC1CC(c2ccc(Br)cc2)=NNC1=O.
What is the InChIKey of 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide?
The InChIKey is HSDWEOPJWHFJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c13-8-3-1-7(2-4-8)9-5-10(12(20)18-17-9)15-6-11(19)16-14/h1-4,10,15H,5-6,14H2,(H,16,19)(H,18,20).
What are the key properties of 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide?
2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide has a molecular weight of 340.18 g/mol, XLogP of -0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]amino]acetohydrazide is sourced from PubChem (CID 139226150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).