4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

C10H8Cl2N6O — CID 3474173

IUPAC4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NN=Cc1c(Cl)cccc1Cl)c1nonc1N
InChIInChI=1S/C10H8Cl2N6O/c11-6-2-1-3-7(12)5(6)4-15-16-9(13)8-10(14)18-19-17-8/h1-4H,(H2,13,16)(H2,14,18)
InChIKeyFSXONGLVCTVNHG-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.70
Rot. Bonds3

About 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 3474173) has the molecular formula C10H8Cl2N6O and a molecular weight of 299.12 g/mol. Its IUPAC name is 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID3474173
Molecular FormulaC10H8Cl2N6O
Molecular Weight299.12 g/mol
Exact Mass298.01
IUPAC Name4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NN=Cc1c(Cl)cccc1Cl)c1nonc1N
InChIInChI=1S/C10H8Cl2N6O/c11-6-2-1-3-7(12)5(6)4-15-16-9(13)8-10(14)18-19-17-8/h1-4H,(H2,13,16)(H2,14,18)
InChIKeyFSXONGLVCTVNHG-UHFFFAOYSA-N
XLogP1.70
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (CID 3474173) is 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is NC(=NN=Cc1c(Cl)cccc1Cl)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is FSXONGLVCTVNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N6O/c11-6-2-1-3-7(12)5(6)4-15-16-9(13)8-10(14)18-19-17-8/h1-4H,(H2,13,16)(H2,14,18).
What are the key properties of 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 299.12 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 3474173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).