(3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane

C12H17N3 — CID 71461581

IUPAC(3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ncc([C@@H]2CN3CCC2C3)nc1C
InChIInChI=1S/C12H17N3/c1-8-9(2)14-12(5-13-8)11-7-15-4-3-10(11)6-15/h5,10-11H,3-4,6-7H2,1-2H3/t10?,11-/m1/s1
InChIKeyPMZINWVPTQJZLT-RRKGBCIJSA-N
MW203.29 g/mol
LogP1.51
Rot. Bonds1

About (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane

(3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 71461581) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID71461581
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ncc([C@@H]2CN3CCC2C3)nc1C
InChIInChI=1S/C12H17N3/c1-8-9(2)14-12(5-13-8)11-7-15-4-3-10(11)6-15/h5,10-11H,3-4,6-7H2,1-2H3/t10?,11-/m1/s1
InChIKeyPMZINWVPTQJZLT-RRKGBCIJSA-N
XLogP1.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (CID 71461581) is (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is Cc1ncc([C@@H]2CN3CCC2C3)nc1C.
What is the InChIKey of (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is PMZINWVPTQJZLT-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-9(2)14-12(5-13-8)11-7-15-4-3-10(11)6-15/h5,10-11H,3-4,6-7H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
(3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 203.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71461581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).