N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide

C12H10N4O4 — CID 6410463

IUPACN-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C12H10N4O4/c1-8(17)13-11-6-3-9(14-15-11)2-4-10-5-7-12(20-10)16(18)19/h2-7H,1H3,(H,13,15,17)/b4-2+
InChIKeyPAKVEKWPKCLOBD-DUXPYHPUSA-N
MW274.24 g/mol
LogP2.11
Rot. Bonds4

About N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide

N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide (PubChem CID 6410463) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide
PubChem CID6410463
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C12H10N4O4/c1-8(17)13-11-6-3-9(14-15-11)2-4-10-5-7-12(20-10)16(18)19/h2-7H,1H3,(H,13,15,17)/b4-2+
InChIKeyPAKVEKWPKCLOBD-DUXPYHPUSA-N
XLogP2.11
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Nifurprazine
CID 6436113
Nifurprazine hydrochloride
CID 6438145
6-[2-(5-Nitrofuran-2-yl)ethenyl]pyridazin-3-amine
CID 71104
1-(5-Nitro-2-furyl)-2-(6-amino-3-pyridazyl)-ethylene hydrochloride
CID 159981
N-[6-[2-(5-Nitro-2-furyl)vinyl]pyridazin-3-YL]acetamide monohydrochloride
CID 6410462
(E)-3-(furan-2-yl)-N-(2-((6-methylpyridazin-3-yl)amino)ethyl)acrylamide
CID 49669503
N,N-dimethyl-N'-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]methanimidamide
CID 21321321
N,N-dimethyl-N'-[6-[2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]methanimidamide
CID 54223987
hydron;6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine;chloride
CID 57516084
CID 88825923
CID 88825923
2-[[6-[2-(5-Nitrofuran-2-yl)ethenyl]pyridazin-3-yl]amino]propane-1,3-diol
CID 154191108
5-nitro-N-pyridazin-3-ylfuran-2-carboxamide
CID 155427933

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide (CID 6410463) is N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide is CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1.
What is the InChIKey of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide?
The InChIKey is PAKVEKWPKCLOBD-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-8(17)13-11-6-3-9(14-15-11)2-4-10-5-7-12(20-10)16(18)19/h2-7H,1H3,(H,13,15,17)/b4-2+.
What are the key properties of N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide?
N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide has a molecular weight of 274.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 6410463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).