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

C10H8N4O3 — CID 6436113

💊View drug profile → nifurprazine
IUPAC6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine
SMILESNc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+
InChIKeyXDWLRMBWIWKFNC-HNQUOIGGSA-N
MW232.20 g/mol
LogP1.73
Rot. Bonds3

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

6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine (PubChem CID 6436113) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine
PubChem CID6436113
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine
SMILESNc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1
InChIInChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+
InChIKeyXDWLRMBWIWKFNC-HNQUOIGGSA-N
XLogP1.73
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.73
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 hydrochloride
CID 6438145
Pyridazine, 3-ethoxy-6-(2-(5-nitro-2-furyl)vinyl)-
CID 6445498
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-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]acetamide
CID 6410463
N-[6-[2-(5-Nitro-2-furyl)vinyl]pyridazin-3-YL]acetamide monohydrochloride
CID 6410462
6-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridazin-3-amine
CID 9614602
1-(5-Nitro-furfurylidene)-2-(3-chloro-6-pyridazinyl) hydrazine
CID 6815530
6-[(E)-2-(3-nitrofuran-2-yl)ethenyl]pyridazin-3-amine
CID 20534951
N,N-dimethyl-N'-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-yl]methanimidamide
CID 21321321
6-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyridazine-3-carboxylic acid
CID 21530074
6-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyridazine-3-carbonitrile
CID 21530075

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine?
The IUPAC name of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine (CID 6436113) is 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine?
The canonical SMILES for 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine is Nc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1.
What is the InChIKey of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine?
The InChIKey is XDWLRMBWIWKFNC-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+.
What are the key properties of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine?
6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine has a molecular weight of 232.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine is sourced from PubChem (CID 6436113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).