N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide

C18H24N4O3 — CID 24540583

IUPACN'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCC)c2ccccc2c1=O
InChIInChI=1S/C18H24N4O3/c1-3-5-8-12-22-18(25)14-11-7-6-10-13(14)16(21-22)17(24)20-19-15(23)9-4-2/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyJJNVACWOZNLQTK-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.15
Rot. Bonds7

About N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide (PubChem CID 24540583) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
PubChem CID24540583
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCC)c2ccccc2c1=O
InChIInChI=1S/C18H24N4O3/c1-3-5-8-12-22-18(25)14-11-7-6-10-13(14)16(21-22)17(24)20-19-15(23)9-4-2/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyJJNVACWOZNLQTK-UHFFFAOYSA-N
XLogP2.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
CID 60599880
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24586065
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 41453316
N'-(3-methyl-3-phenylbutanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 60596220
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
N'-[3-(2,3-dichlorophenoxy)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788848
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
4-oxo-3-pentyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutanoyl]phthalazine-1-carbohydrazide
CID 26006941
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-(2-butylsulfanylpropanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55923112
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959

Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The IUPAC name of N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide (CID 24540583) is N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)CCC)c2ccccc2c1=O.
What is the InChIKey of N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The InChIKey is JJNVACWOZNLQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-5-8-12-22-18(25)14-11-7-6-10-13(14)16(21-22)17(24)20-19-15(23)9-4-2/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide?
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide has a molecular weight of 344.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide is sourced from PubChem (CID 24540583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).