N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

C11H18N6 — CID 80943155

IUPACN-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNNc1nccc(NC2CN3CCC2CC3)n1
InChIInChI=1S/C11H18N6/c12-16-11-13-4-1-10(15-11)14-9-7-17-5-2-8(9)3-6-17/h1,4,8-9H,2-3,5-7,12H2,(H2,13,14,15,16)
InChIKeyFPBDWYJOWSNPBW-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.27
Rot. Bonds3

About N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 80943155) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID80943155
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNNc1nccc(NC2CN3CCC2CC3)n1
InChIInChI=1S/C11H18N6/c12-16-11-13-4-1-10(15-11)14-9-7-17-5-2-8(9)3-6-17/h1,4,8-9H,2-3,5-7,12H2,(H2,13,14,15,16)
InChIKeyFPBDWYJOWSNPBW-UHFFFAOYSA-N
XLogP0.27
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 80943155) is N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is NNc1nccc(NC2CN3CCC2CC3)n1.
What is the InChIKey of N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is FPBDWYJOWSNPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c12-16-11-13-4-1-10(15-11)14-9-7-17-5-2-8(9)3-6-17/h1,4,8-9H,2-3,5-7,12H2,(H2,13,14,15,16).
What are the key properties of N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 234.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 80943155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).