4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C11H11N5O2 — CID 137297497

IUPAC4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/[C@@H]1Cc2ccccc21)NO
InChIInChI=1S/C11H11N5O2/c12-10-9(15-18-16-10)11(14-17)13-8-5-6-3-1-2-4-7(6)8/h1-4,8,17H,5H2,(H2,12,16)(H,13,14)/t8-/m1/s1
InChIKeyOFIMOHDSAAYGBN-MRVPVSSYSA-N
MW245.24 g/mol
LogP0.67
Rot. Bonds2

About 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 137297497) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID137297497
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/[C@@H]1Cc2ccccc21)NO
InChIInChI=1S/C11H11N5O2/c12-10-9(15-18-16-10)11(14-17)13-8-5-6-3-1-2-4-7(6)8/h1-4,8,17H,5H2,(H2,12,16)(H,13,14)/t8-/m1/s1
InChIKeyOFIMOHDSAAYGBN-MRVPVSSYSA-N
XLogP0.67
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
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'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 137297497) is 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is Nc1nonc1/C(=N/[C@@H]1Cc2ccccc21)NO.
What is the InChIKey of 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is OFIMOHDSAAYGBN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-10-9(15-18-16-10)11(14-17)13-8-5-6-3-1-2-4-7(6)8/h1-4,8,17H,5H2,(H2,12,16)(H,13,14)/t8-/m1/s1.
What are the key properties of 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 245.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 137297497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).