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

C15H23N3O — CID 110096404

IUPAC2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCc1cncc(C2CCCN2CC2CCOCC2)n1
InChIInChI=1S/C15H23N3O/c1-12-9-16-10-14(17-12)15-3-2-6-18(15)11-13-4-7-19-8-5-13/h9-10,13,15H,2-8,11H2,1H3
InChIKeyZXYXYUQNIJUPIF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds3

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

2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 110096404) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID110096404
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESCc1cncc(C2CCCN2CC2CCOCC2)n1
InChIInChI=1S/C15H23N3O/c1-12-9-16-10-14(17-12)15-3-2-6-18(15)11-13-4-7-19-8-5-13/h9-10,13,15H,2-8,11H2,1H3
InChIKeyZXYXYUQNIJUPIF-UHFFFAOYSA-N
XLogP2.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 110096404) is 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine is Cc1cncc(C2CCCN2CC2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is ZXYXYUQNIJUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-9-16-10-14(17-12)15-3-2-6-18(15)11-13-4-7-19-8-5-13/h9-10,13,15H,2-8,11H2,1H3.
What are the key properties of 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 261.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 110096404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).