6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide

C11H10N4O2S — CID 5415121

IUPAC6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1cccs1
InChIInChI=1S/C11H10N4O2S/c1-7(9-3-2-6-18-9)12-15-11(17)8-4-5-10(16)14-13-8/h2-6H,1H3,(H,14,16)(H,15,17)/b12-7+
InChIKeySERKGQHSKBVYFS-KPKJPENVSA-N
MW262.29 g/mol
LogP0.99
Rot. Bonds3

About 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide

6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide (PubChem CID 5415121) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide
PubChem CID5415121
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1cccs1
InChIInChI=1S/C11H10N4O2S/c1-7(9-3-2-6-18-9)12-15-11(17)8-4-5-10(16)14-13-8/h2-6H,1H3,(H,14,16)(H,15,17)/b12-7+
InChIKeySERKGQHSKBVYFS-KPKJPENVSA-N
XLogP0.99
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide (CID 5415121) is 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide is C/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1cccs1.
What is the InChIKey of 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide?
The InChIKey is SERKGQHSKBVYFS-KPKJPENVSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-7(9-3-2-6-18-9)12-15-11(17)8-4-5-10(16)14-13-8/h2-6H,1H3,(H,14,16)(H,15,17)/b12-7+.
What are the key properties of 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 5415121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).