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

C7H7N3 — CID 54243092

IUPAC7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide
SMILES[H]/N=C(\N)N1c2ccccc21
InChIInChI=1S/C7H7N3/c8-7(9)10-5-3-1-2-4-6(5)10/h1-4H,(H3,8,9)
InChIKeyQRJNQLWHJMHGRC-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.03
Rot. Bonds

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

7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide (PubChem CID 54243092) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide.

Molecular Properties

Compound Name7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide
PubChem CID54243092
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide
SMILES[H]/N=C(\N)N1c2ccccc21
InChIInChI=1S/C7H7N3/c8-7(9)10-5-3-1-2-4-6(5)10/h1-4H,(H3,8,9)
InChIKeyQRJNQLWHJMHGRC-UHFFFAOYSA-N
XLogP1.03
TPSA52.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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?
The IUPAC name of 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide (CID 54243092) is 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide.
What is the SMILES notation for 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide?
The canonical SMILES for 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide is [H]/N=C(\N)N1c2ccccc21.
What is the InChIKey of 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide?
The InChIKey is QRJNQLWHJMHGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-7(9)10-5-3-1-2-4-6(5)10/h1-4H,(H3,8,9).
What are the key properties of 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide?
7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide has a molecular weight of 133.15 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide is sourced from PubChem (CID 54243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).