8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride

C12H18ClN3O — CID 23223041

IUPAC8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride
SMILESCl.c1cnc(OCC23CCCN2CCC3)cn1
InChIInChI=1S/C12H17N3O.ClH/c1-3-12(4-2-8-15(12)7-1)10-16-11-9-13-5-6-14-11;/h5-6,9H,1-4,7-8,10H2;1H
InChIKeyLFSFESBBUSNIFT-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.91
Rot. Bonds3

About 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride

8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride (PubChem CID 23223041) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride.

Molecular Properties

Compound Name8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride
PubChem CID23223041
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride
SMILESCl.c1cnc(OCC23CCCN2CCC3)cn1
InChIInChI=1S/C12H17N3O.ClH/c1-3-12(4-2-8-15(12)7-1)10-16-11-9-13-5-6-14-11;/h5-6,9H,1-4,7-8,10H2;1H
InChIKeyLFSFESBBUSNIFT-UHFFFAOYSA-N
XLogP1.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
The IUPAC name of 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride (CID 23223041) is 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride.
What is the SMILES notation for 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
The canonical SMILES for 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride is Cl.c1cnc(OCC23CCCN2CCC3)cn1.
What is the InChIKey of 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
The InChIKey is LFSFESBBUSNIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-3-12(4-2-8-15(12)7-1)10-16-11-9-13-5-6-14-11;/h5-6,9H,1-4,7-8,10H2;1H.
What are the key properties of 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride?
8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrazin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;hydrochloride is sourced from PubChem (CID 23223041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).