N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide

C10H8N6O3 — CID 172964474

IUPACN'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide
SMILESNC(=N/N=C/c1ccc([N+](=O)[O-])o1)c1cnccn1
InChIInChI=1S/C10H8N6O3/c11-10(8-6-12-3-4-13-8)15-14-5-7-1-2-9(19-7)16(17)18/h1-6H,(H2,11,15)/b14-5+
InChIKeyGFLXWRNVRRZMFS-LHHJGKSTSA-N
MW260.21 g/mol
LogP0.72
Rot. Bonds4

About N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide

N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide (PubChem CID 172964474) has the molecular formula C10H8N6O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide
PubChem CID172964474
Molecular FormulaC10H8N6O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC NameN'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide
SMILESNC(=N/N=C/c1ccc([N+](=O)[O-])o1)c1cnccn1
InChIInChI=1S/C10H8N6O3/c11-10(8-6-12-3-4-13-8)15-14-5-7-1-2-9(19-7)16(17)18/h1-6H,(H2,11,15)/b14-5+
InChIKeyGFLXWRNVRRZMFS-LHHJGKSTSA-N
XLogP0.72
TPSA132.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide?
The IUPAC name of N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide (CID 172964474) is N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide is NC(=N/N=C/c1ccc([N+](=O)[O-])o1)c1cnccn1.
What is the InChIKey of N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide?
The InChIKey is GFLXWRNVRRZMFS-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H8N6O3/c11-10(8-6-12-3-4-13-8)15-14-5-7-1-2-9(19-7)16(17)18/h1-6H,(H2,11,15)/b14-5+.
What are the key properties of N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide?
N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide has a molecular weight of 260.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazine-2-carboximidamide is sourced from PubChem (CID 172964474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).