7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide

C17H12N6O2S — CID 134130339

IUPAC7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1n[nH]c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C17H12N6O2S/c24-16(21-18-9-12-7-4-8-26-12)14-13-10-19-23(11-5-2-1-3-6-11)15(13)17(25)22-20-14/h1-10H,(H,21,24)(H,22,25)/b18-9+
InChIKeyFONPMRAIXCGAJI-GIJQJNRQSA-N
MW364.39 g/mol
LogP1.93
Rot. Bonds4

About 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide

7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide (PubChem CID 134130339) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide.

Molecular Properties

Compound Name7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide
PubChem CID134130339
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC Name7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1n[nH]c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C17H12N6O2S/c24-16(21-18-9-12-7-4-8-26-12)14-13-10-19-23(11-5-2-1-3-6-11)15(13)17(25)22-20-14/h1-10H,(H,21,24)(H,22,25)/b18-9+
InChIKeyFONPMRAIXCGAJI-GIJQJNRQSA-N
XLogP1.93
TPSA105.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
2-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919877
N'-{(E)-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}pyridine-4-carbohydrazide
CID 6900173
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919719
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide
CID 20919834
7-oxo-1-phenyl-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide
CID 134130095
N'-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 9583897
N'-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thiophenecarbohydrazide
CID 6880016
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]propanamide
CID 20919700
2-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[2-(thiophen-2-YL)ethyl]acetamide
CID 20919844
PubChem SID: 22405111
CID 6001017

Frequently Asked Questions

What is the IUPAC name of 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide?
The IUPAC name of 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide (CID 134130339) is 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide.
What is the SMILES notation for 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide?
The canonical SMILES for 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide is O=C(N/N=C/c1cccs1)c1n[nH]c(=O)c2c1cnn2-c1ccccc1.
What is the InChIKey of 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide?
The InChIKey is FONPMRAIXCGAJI-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H12N6O2S/c24-16(21-18-9-12-7-4-8-26-12)14-13-10-19-23(11-5-2-1-3-6-11)15(13)17(25)22-20-14/h1-10H,(H,21,24)(H,22,25)/b18-9+.
What are the key properties of 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide?
7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide is sourced from PubChem (CID 134130339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).