5-nitro-3-pyridazin-3-ylfuran-2-carboxamide

C9H6N4O4 — CID 175705174

IUPAC5-nitro-3-pyridazin-3-ylfuran-2-carboxamide
SMILESNC(=O)c1oc([N+](=O)[O-])cc1-c1cccnn1
InChIInChI=1S/C9H6N4O4/c10-9(14)8-5(4-7(17-8)13(15)16)6-2-1-3-11-12-6/h1-4H,(H2,10,14)
InChIKeyGOFBBZNQIQWLAA-UHFFFAOYSA-N
MW234.17 g/mol
LogP0.74
Rot. Bonds3

About 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide

5-nitro-3-pyridazin-3-ylfuran-2-carboxamide (PubChem CID 175705174) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-3-pyridazin-3-ylfuran-2-carboxamide
PubChem CID175705174
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC Name5-nitro-3-pyridazin-3-ylfuran-2-carboxamide
SMILESNC(=O)c1oc([N+](=O)[O-])cc1-c1cccnn1
InChIInChI=1S/C9H6N4O4/c10-9(14)8-5(4-7(17-8)13(15)16)6-2-1-3-11-12-6/h1-4H,(H2,10,14)
InChIKeyGOFBBZNQIQWLAA-UHFFFAOYSA-N
XLogP0.74
TPSA125.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 50.74
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

5-(5-nitrofuran-2-yl)-4-(nitrosomethyl)-1H-pyrazole
CID 53673311
[5-(5-nitrofuran-2-yl)-1H-pyrazol-4-yl]methanimine
CID 135729120
N-[(E)-[5-(5-nitrofuran-2-yl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135729129
N-[[5-(5-nitrofuran-2-yl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 136201792
3-(5-nitro-2-furyl)-1H-pyrazole-4-carboxaldehydeoxime
CID 136271519
5-Nitro-3-pyridin-2-ylfuran-2-carboxamide
CID 175705184
5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide
CID 175705200
3-(1-Methylpyrazol-3-yl)-5-nitrofuran-2-carboxamide
CID 175705202
[5-(5-nitrofuran-2-yl)-1H-pyrazol-4-yl]methylideneazanium
CID 135729119
N-Hydroxy-1-[3-(5-nitrofuran-2-yl)-4H-pyrazol-4-ylidene]methanamine
CID 137103699

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide?
The IUPAC name of 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide (CID 175705174) is 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide is NC(=O)c1oc([N+](=O)[O-])cc1-c1cccnn1.
What is the InChIKey of 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide?
The InChIKey is GOFBBZNQIQWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O4/c10-9(14)8-5(4-7(17-8)13(15)16)6-2-1-3-11-12-6/h1-4H,(H2,10,14).
What are the key properties of 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide?
5-nitro-3-pyridazin-3-ylfuran-2-carboxamide has a molecular weight of 234.17 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-pyridazin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 175705174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).