3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

C13H20N2O — CID 83917617

IUPAC3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESCc1ccc(C2CN3CCCCC3CN2)o1
InChIInChI=1S/C13H20N2O/c1-10-5-6-13(16-10)12-9-15-7-3-2-4-11(15)8-14-12/h5-6,11-12,14H,2-4,7-9H2,1H3
InChIKeyBYFSMTUYZVHZBS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.09
Rot. Bonds1

About 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 83917617) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID83917617
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESCc1ccc(C2CN3CCCCC3CN2)o1
InChIInChI=1S/C13H20N2O/c1-10-5-6-13(16-10)12-9-15-7-3-2-4-11(15)8-14-12/h5-6,11-12,14H,2-4,7-9H2,1H3
InChIKeyBYFSMTUYZVHZBS-UHFFFAOYSA-N
XLogP2.09
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine with MolForge

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Related Compounds

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5-[3-(2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-3-yl)-4-ethylphenyl]-3-bromopyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (CID 83917617) is 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is Cc1ccc(C2CN3CCCCC3CN2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is BYFSMTUYZVHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-6-13(16-10)12-9-15-7-3-2-4-11(15)8-14-12/h5-6,11-12,14H,2-4,7-9H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 220.32 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 83917617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).