2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide

C12H12N4O2 — CID 95560141

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C12H12N4O2/c13-14-11(17)8-16-12(18)7-6-10(15-16)9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,17)
InChIKeyOFVYWOLUQRXFHF-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.10
Rot. Bonds3

About 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide

2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide (PubChem CID 95560141) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide
PubChem CID95560141
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C12H12N4O2/c13-14-11(17)8-16-12(18)7-6-10(15-16)9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,17)
InChIKeyOFVYWOLUQRXFHF-UHFFFAOYSA-N
XLogP-0.10
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.10
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide (CID 95560141) is 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide is NNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide?
The InChIKey is OFVYWOLUQRXFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-14-11(17)8-16-12(18)7-6-10(15-16)9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,17).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide?
2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide has a molecular weight of 244.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)acetohydrazide is sourced from PubChem (CID 95560141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).