7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid

C7H8N4O3 — CID 67944496

IUPAC7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N1c2ccccc21
InChIInChI=1S/C7H7N3.HNO3/c8-7(9)10-5-3-1-2-4-6(5)10;2-1(3)4/h1-4H,(H3,8,9);(H,2,3,4)
InChIKeyJKPMJHGSDCNQRV-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.68
Rot. Bonds

About 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid

7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid (PubChem CID 67944496) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid.

Molecular Properties

Compound Name7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid
PubChem CID67944496
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N1c2ccccc21
InChIInChI=1S/C7H7N3.HNO3/c8-7(9)10-5-3-1-2-4-6(5)10;2-1(3)4/h1-4H,(H3,8,9);(H,2,3,4)
InChIKeyJKPMJHGSDCNQRV-UHFFFAOYSA-N
XLogP0.68
TPSA116.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid?
The IUPAC name of 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid (CID 67944496) is 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid.
What is the SMILES notation for 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid?
The canonical SMILES for 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)N1c2ccccc21.
What is the InChIKey of 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid?
The InChIKey is JKPMJHGSDCNQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.HNO3/c8-7(9)10-5-3-1-2-4-6(5)10;2-1(3)4/h1-4H,(H3,8,9);(H,2,3,4).
What are the key properties of 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid?
7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid has a molecular weight of 196.17 g/mol, XLogP of 0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid is sourced from PubChem (CID 67944496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).