7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide

C15H10N6O2S2 — CID 134130053

IUPAC7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2cccs2)s1)c1n[nH]c(=O)c2[nH]ncc12
InChIInChI=1S/C15H10N6O2S2/c22-14(13-9-7-17-18-12(9)15(23)21-19-13)20-16-6-8-3-4-11(25-8)10-2-1-5-24-10/h1-7H,(H,17,18)(H,20,22)(H,21,23)/b16-6+
InChIKeyJOONRGOGXVLVQY-OMCISZLKSA-N
MW370.42 g/mol
LogP2.20
Rot. Bonds4

About 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide

7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide (PubChem CID 134130053) has the molecular formula C15H10N6O2S2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide.

Molecular Properties

Compound Name7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide
PubChem CID134130053
Molecular FormulaC15H10N6O2S2
Molecular Weight370.42 g/mol
Exact Mass370.03
IUPAC Name7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2cccs2)s1)c1n[nH]c(=O)c2[nH]ncc12
InChIInChI=1S/C15H10N6O2S2/c22-14(13-9-7-17-18-12(9)15(23)21-19-13)20-16-6-8-3-4-11(25-8)10-2-1-5-24-10/h1-7H,(H,17,18)(H,20,22)(H,21,23)/b16-6+
InChIKeyJOONRGOGXVLVQY-OMCISZLKSA-N
XLogP2.20
TPSA115.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
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

N'-(2-thienylmethylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5720643
N'-[(E)-2-thienylmethylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 5720647
4-ethyl-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}-5-methyl-3-thiophenecarbohydrazide
CID 135521407
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6866405
7-oxo-1-phenyl-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide
CID 134130095
5-methyl-N'-[(3-phenyl-1H-pyrazol-4-yl)methylene]-3-thiophenecarbohydrazide
CID 135401430
N'-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 135521503
7-oxo-1,6-diphenyl-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]pyrazolo[4,5-d]pyridazine-4-carboxamide
CID 134130742
N'-((5-Methyl-2-thienyl)methylene)-3-(2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 6890799
7-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide
CID 134130717
N'-(3-Fluorobenzylidene)-3-(2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 44722152
(Z)-N'-(thiophen-2-ylmethylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5400005

Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide?
The IUPAC name of 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide (CID 134130053) is 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide.
What is the SMILES notation for 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide?
The canonical SMILES for 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide is O=C(N/N=C/c1ccc(-c2cccs2)s1)c1n[nH]c(=O)c2[nH]ncc12.
What is the InChIKey of 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide?
The InChIKey is JOONRGOGXVLVQY-OMCISZLKSA-N. The full InChI is InChI=1S/C15H10N6O2S2/c22-14(13-9-7-17-18-12(9)15(23)21-19-13)20-16-6-8-3-4-11(25-8)10-2-1-5-24-10/h1-7H,(H,17,18)(H,20,22)(H,21,23)/b16-6+.
What are the key properties of 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide?
7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-1,6-dihydropyrazolo[4,5-d]pyridazine-4-carboxamide is sourced from PubChem (CID 134130053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).