2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone

C12H16N4O — CID 104642424

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(C(=O)N2CC3CCC2C3)nc1
InChIInChI=1S/C12H16N4O/c13-15-9-2-4-11(14-6-9)12(17)16-7-8-1-3-10(16)5-8/h2,4,6,8,10,15H,1,3,5,7,13H2
InChIKeyBUWRVNJUTWBKKW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.99
Rot. Bonds2

About 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone (PubChem CID 104642424) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
PubChem CID104642424
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(C(=O)N2CC3CCC2C3)nc1
InChIInChI=1S/C12H16N4O/c13-15-9-2-4-11(14-6-9)12(17)16-7-8-1-3-10(16)5-8/h2,4,6,8,10,15H,1,3,5,7,13H2
InChIKeyBUWRVNJUTWBKKW-UHFFFAOYSA-N
XLogP0.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone (CID 104642424) is 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone is NNc1ccc(C(=O)N2CC3CCC2C3)nc1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is BUWRVNJUTWBKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-15-9-2-4-11(14-6-9)12(17)16-7-8-1-3-10(16)5-8/h2,4,6,8,10,15H,1,3,5,7,13H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 232.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 104642424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).