2-(pyrrolidin-3-ylmethyl)pyrazine

C9H13N3 — CID 91664776

IUPAC2-(pyrrolidin-3-ylmethyl)pyrazine
SMILESc1cnc(CC2CCNC2)cn1
InChIInChI=1S/C9H13N3/c1-2-10-6-8(1)5-9-7-11-3-4-12-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyHLFSEGNEHMFVDL-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.63
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)pyrazine

2-(pyrrolidin-3-ylmethyl)pyrazine (PubChem CID 91664776) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)pyrazine
PubChem CID91664776
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(pyrrolidin-3-ylmethyl)pyrazine
SMILESc1cnc(CC2CCNC2)cn1
InChIInChI=1S/C9H13N3/c1-2-10-6-8(1)5-9-7-11-3-4-12-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyHLFSEGNEHMFVDL-UHFFFAOYSA-N
XLogP0.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)pyrazine?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)pyrazine (CID 91664776) is 2-(pyrrolidin-3-ylmethyl)pyrazine.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)pyrazine?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)pyrazine is c1cnc(CC2CCNC2)cn1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)pyrazine?
The InChIKey is HLFSEGNEHMFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-10-6-8(1)5-9-7-11-3-4-12-9/h3-4,7-8,10H,1-2,5-6H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)pyrazine?
2-(pyrrolidin-3-ylmethyl)pyrazine has a molecular weight of 163.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)pyrazine is sourced from PubChem (CID 91664776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).