N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

C11H18N6 — CID 80942875

IUPACN-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNNc1cc(NC2CN3CCC2CC3)ncn1
InChIInChI=1S/C11H18N6/c12-16-11-5-10(13-7-14-11)15-9-6-17-3-1-8(9)2-4-17/h5,7-9H,1-4,6,12H2,(H2,13,14,15,16)
InChIKeyJRSTXYCQPUGHRK-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.27
Rot. Bonds3

About N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 80942875) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID80942875
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNNc1cc(NC2CN3CCC2CC3)ncn1
InChIInChI=1S/C11H18N6/c12-16-11-5-10(13-7-14-11)15-9-6-17-3-1-8(9)2-4-17/h5,7-9H,1-4,6,12H2,(H2,13,14,15,16)
InChIKeyJRSTXYCQPUGHRK-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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Related Compounds

N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80943155
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
CID 102983633
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-3-carbothioamide
CID 24709236
N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60924563
6-hydrazinyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80907012
(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 170444097
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine
CID 139330257
2-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrimidine-2,4-diamine
CID 116795448
N-(2,4,5-trifluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55210890
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbothioamide
CID 64587249
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 115487454

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 80942875) is N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is NNc1cc(NC2CN3CCC2CC3)ncn1.
What is the InChIKey of N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is JRSTXYCQPUGHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c12-16-11-5-10(13-7-14-11)15-9-6-17-3-1-8(9)2-4-17/h5,7-9H,1-4,6,12H2,(H2,13,14,15,16).
What are the key properties of N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(6-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-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 80942875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).