(3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane

C11H15N3 — CID 71459874

IUPAC(3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1cncc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C11H15N3/c1-8-4-12-5-11(13-8)10-7-14-3-2-9(10)6-14/h4-5,9-10H,2-3,6-7H2,1H3/t9?,10-/m1/s1
InChIKeyRADOYUDOTJZTNO-QVDQXJPCSA-N
MW189.26 g/mol
LogP1.20
Rot. Bonds1

About (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane

(3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 71459874) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID71459874
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1cncc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C11H15N3/c1-8-4-12-5-11(13-8)10-7-14-3-2-9(10)6-14/h4-5,9-10H,2-3,6-7H2,1H3/t9?,10-/m1/s1
InChIKeyRADOYUDOTJZTNO-QVDQXJPCSA-N
XLogP1.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane (CID 71459874) is (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is Cc1cncc([C@@H]2CN3CCC2C3)n1.
What is the InChIKey of (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is RADOYUDOTJZTNO-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-4-12-5-11(13-8)10-7-14-3-2-9(10)6-14/h4-5,9-10H,2-3,6-7H2,1H3/t9?,10-/m1/s1.
What are the key properties of (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane?
(3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 189.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71459874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).