N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine

C12H15N3O2 — CID 107381360

IUPACN-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(OCc2ccco2)cn1
InChIInChI=1S/C12H15N3O2/c1-2-13-6-10-7-15-12(8-14-10)17-9-11-4-3-5-16-11/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyINWOXUVKNZRSPX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.76
Rot. Bonds6

About N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine

N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 107381360) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID107381360
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(OCc2ccco2)cn1
InChIInChI=1S/C12H15N3O2/c1-2-13-6-10-7-15-12(8-14-10)17-9-11-4-3-5-16-11/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyINWOXUVKNZRSPX-UHFFFAOYSA-N
XLogP1.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine (CID 107381360) is N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(OCc2ccco2)cn1.
What is the InChIKey of N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is INWOXUVKNZRSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-13-6-10-7-15-12(8-14-10)17-9-11-4-3-5-16-11/h3-5,7-8,13H,2,6,9H2,1H3.
What are the key properties of N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-ylmethoxy)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107381360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).