4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide

C25H26N6O4 — CID 24540574

IUPAC4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2ccccc2c1=O
InChIInChI=1S/C25H26N6O4/c1-2-3-9-16-30-25(35)19-13-8-7-12-18(19)22(29-30)24(34)27-26-23(33)20-14-15-21(32)31(28-20)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,26,33)(H,27,34)
InChIKeyBVKRXMLLCDPYMH-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.53
Rot. Bonds7

About 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide

4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide (PubChem CID 24540574) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide
PubChem CID24540574
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2ccccc2c1=O
InChIInChI=1S/C25H26N6O4/c1-2-3-9-16-30-25(35)19-13-8-7-12-18(19)22(29-30)24(34)27-26-23(33)20-14-15-21(32)31(28-20)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,26,33)(H,27,34)
InChIKeyBVKRXMLLCDPYMH-UHFFFAOYSA-N
XLogP2.53
TPSA125.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide (CID 24540574) is 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide?
The InChIKey is BVKRXMLLCDPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-2-3-9-16-30-25(35)19-13-8-7-12-18(19)22(29-30)24(34)27-26-23(33)20-14-15-21(32)31(28-20)17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,26,33)(H,27,34).
What are the key properties of 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide?
4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide has a molecular weight of 474.52 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-3-pentylphthalazine-1-carbohydrazide is sourced from PubChem (CID 24540574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).