(3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

C13H20ClN3 — CID 70689200

IUPAC(3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCc1nc(C)c([C@H]2CN3CCC2C3)nc1C.Cl
InChIInChI=1S/C13H19N3.ClH/c1-8-9(2)15-13(10(3)14-8)12-7-16-5-4-11(12)6-16;/h11-12H,4-7H2,1-3H3;1H/t11?,12-;/m0./s1
InChIKeyJTLXCTWLWVXACE-MMFRDWCLSA-N
MW253.78 g/mol
LogP2.24
Rot. Bonds1

About (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

(3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 70689200) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID70689200
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name(3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCc1nc(C)c([C@H]2CN3CCC2C3)nc1C.Cl
InChIInChI=1S/C13H19N3.ClH/c1-8-9(2)15-13(10(3)14-8)12-7-16-5-4-11(12)6-16;/h11-12H,4-7H2,1-3H3;1H/t11?,12-;/m0./s1
InChIKeyJTLXCTWLWVXACE-MMFRDWCLSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (CID 70689200) is (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is Cc1nc(C)c([C@H]2CN3CCC2C3)nc1C.Cl.
What is the InChIKey of (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is JTLXCTWLWVXACE-MMFRDWCLSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c1-8-9(2)15-13(10(3)14-8)12-7-16-5-4-11(12)6-16;/h11-12H,4-7H2,1-3H3;1H/t11?,12-;/m0./s1.
What are the key properties of (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
(3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5,6-trimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 70689200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).