2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride

C8H12ClN3O — CID 70200423

IUPAC2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride
SMILESCl.c1cnc(OC[C@@H]2CCN2)cn1
InChIInChI=1S/C8H11N3O.ClH/c1-2-10-7(1)6-12-8-5-9-3-4-11-8;/h3-5,7,10H,1-2,6H2;1H/t7-;/m0./s1
InChIKeyQEQMJHVHMAPPLX-FJXQXJEOSA-N
MW201.66 g/mol
LogP0.64
Rot. Bonds3

About 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride

2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride (PubChem CID 70200423) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride
PubChem CID70200423
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride
SMILESCl.c1cnc(OC[C@@H]2CCN2)cn1
InChIInChI=1S/C8H11N3O.ClH/c1-2-10-7(1)6-12-8-5-9-3-4-11-8;/h3-5,7,10H,1-2,6H2;1H/t7-;/m0./s1
InChIKeyQEQMJHVHMAPPLX-FJXQXJEOSA-N
XLogP0.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride?
The IUPAC name of 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride (CID 70200423) is 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride.
What is the SMILES notation for 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride?
The canonical SMILES for 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride is Cl.c1cnc(OC[C@@H]2CCN2)cn1.
What is the InChIKey of 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride?
The InChIKey is QEQMJHVHMAPPLX-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c1-2-10-7(1)6-12-8-5-9-3-4-11-8;/h3-5,7,10H,1-2,6H2;1H/t7-;/m0./s1.
What are the key properties of 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride?
2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-azetidin-2-yl]methoxy]pyrazine;hydrochloride is sourced from PubChem (CID 70200423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).