2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide

C16H14N4O2 — CID 712918

IUPAC2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c17-18-14(21)10-20-16(22)13-9-5-4-8-12(13)15(19-20)11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,21)
InChIKeyYQMYAOCZQUKNRE-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.05
Rot. Bonds3

About 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide

2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide (PubChem CID 712918) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide
PubChem CID712918
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c17-18-14(21)10-20-16(22)13-9-5-4-8-12(13)15(19-20)11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,21)
InChIKeyYQMYAOCZQUKNRE-UHFFFAOYSA-N
XLogP1.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.05
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-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide?
The IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide (CID 712918) is 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide?
The canonical SMILES for 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide is NNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide?
The InChIKey is YQMYAOCZQUKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-18-14(21)10-20-16(22)13-9-5-4-8-12(13)15(19-20)11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,21).
What are the key properties of 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide?
2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide has a molecular weight of 294.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide is sourced from PubChem (CID 712918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).