6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine

C12H18N4 — CID 71459875

IUPAC6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C12H18N4/c1-15(2)12-6-13-5-11(14-12)10-8-16-4-3-9(10)7-16/h5-6,9-10H,3-4,7-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyXOMBRYIGESEHHV-QVDQXJPCSA-N
MW218.30 g/mol
LogP0.96
Rot. Bonds2

About 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine

6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine (PubChem CID 71459875) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine
PubChem CID71459875
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C12H18N4/c1-15(2)12-6-13-5-11(14-12)10-8-16-4-3-9(10)7-16/h5-6,9-10H,3-4,7-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyXOMBRYIGESEHHV-QVDQXJPCSA-N
XLogP0.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine (CID 71459875) is 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine is CN(C)c1cncc([C@@H]2CN3CCC2C3)n1.
What is the InChIKey of 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine?
The InChIKey is XOMBRYIGESEHHV-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H18N4/c1-15(2)12-6-13-5-11(14-12)10-8-16-4-3-9(10)7-16/h5-6,9-10H,3-4,7-8H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine?
6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 71459875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).