2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine

C20H25N3O — CID 110253644

IUPAC2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
SMILESc1ccc(Cc2cncc(C3CCCN3C3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N3O/c1-2-5-16(6-3-1)13-17-14-21-15-19(22-17)20-7-4-10-23(20)18-8-11-24-12-9-18/h1-3,5-6,14-15,18,20H,4,7-13H2
InChIKeyYNQWYEFFDZOLES-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.38
Rot. Bonds4

About 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine

2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine (PubChem CID 110253644) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
PubChem CID110253644
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
SMILESc1ccc(Cc2cncc(C3CCCN3C3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N3O/c1-2-5-16(6-3-1)13-17-14-21-15-19(22-17)20-7-4-10-23(20)18-8-11-24-12-9-18/h1-3,5-6,14-15,18,20H,4,7-13H2
InChIKeyYNQWYEFFDZOLES-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine (CID 110253644) is 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine is c1ccc(Cc2cncc(C3CCCN3C3CCOCC3)n2)cc1.
What is the InChIKey of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
The InChIKey is YNQWYEFFDZOLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-5-16(6-3-1)13-17-14-21-15-19(22-17)20-7-4-10-23(20)18-8-11-24-12-9-18/h1-3,5-6,14-15,18,20H,4,7-13H2.
What are the key properties of 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine?
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine has a molecular weight of 323.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 110253644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).