2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride

C9H14ClN3O — CID 71636912

IUPAC2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
SMILESCl.c1cnc(CO[C@H]2CCNC2)cn1
InChIInChI=1S/C9H13N3O.ClH/c1-2-10-6-9(1)13-7-8-5-11-3-4-12-8;/h3-5,9-10H,1-2,6-7H2;1H/t9-;/m0./s1
InChIKeyXABWNUVDTUDKIM-FVGYRXGTSA-N
MW215.68 g/mol
LogP0.78
Rot. Bonds3

About 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride

2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride (PubChem CID 71636912) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
PubChem CID71636912
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
SMILESCl.c1cnc(CO[C@H]2CCNC2)cn1
InChIInChI=1S/C9H13N3O.ClH/c1-2-10-6-9(1)13-7-8-5-11-3-4-12-8;/h3-5,9-10H,1-2,6-7H2;1H/t9-;/m0./s1
InChIKeyXABWNUVDTUDKIM-FVGYRXGTSA-N
XLogP0.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The IUPAC name of 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride (CID 71636912) is 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride.
What is the SMILES notation for 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The canonical SMILES for 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride is Cl.c1cnc(CO[C@H]2CCNC2)cn1.
What is the InChIKey of 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
The InChIKey is XABWNUVDTUDKIM-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c1-2-10-6-9(1)13-7-8-5-11-3-4-12-8;/h3-5,9-10H,1-2,6-7H2;1H/t9-;/m0./s1.
What are the key properties of 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride?
2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride is sourced from PubChem (CID 71636912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).