2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide

C7H12N4O2 — CID 55264971

IUPAC2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide
SMILESCC1=NN(CC(=O)NN)C(=O)CC1
InChIInChI=1S/C7H12N4O2/c1-5-2-3-7(13)11(10-5)4-6(12)9-8/h2-4,8H2,1H3,(H,9,12)
InChIKeyQLGHNTOPTGUCQN-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.03
Rot. Bonds2

About 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide

2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide (PubChem CID 55264971) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide
PubChem CID55264971
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide
SMILESCC1=NN(CC(=O)NN)C(=O)CC1
InChIInChI=1S/C7H12N4O2/c1-5-2-3-7(13)11(10-5)4-6(12)9-8/h2-4,8H2,1H3,(H,9,12)
InChIKeyQLGHNTOPTGUCQN-UHFFFAOYSA-N
XLogP-1.03
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide?
The IUPAC name of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide (CID 55264971) is 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide is CC1=NN(CC(=O)NN)C(=O)CC1.
What is the InChIKey of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide?
The InChIKey is QLGHNTOPTGUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5-2-3-7(13)11(10-5)4-6(12)9-8/h2-4,8H2,1H3,(H,9,12).
What are the key properties of 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide?
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide has a molecular weight of 184.20 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetohydrazide is sourced from PubChem (CID 55264971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).