4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine

C14H24N6O — CID 80836544

IUPAC4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(N2CC3CCCCN3CC2C)n1
InChIInChI=1S/C14H24N6O/c1-3-21-14-17-12(15)16-13(18-14)20-9-11-6-4-5-7-19(11)8-10(20)2/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyWWDWRPQJJUIMFN-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.92
Rot. Bonds3

About 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine

4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine (PubChem CID 80836544) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine
PubChem CID80836544
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(N2CC3CCCCN3CC2C)n1
InChIInChI=1S/C14H24N6O/c1-3-21-14-17-12(15)16-13(18-14)20-9-11-6-4-5-7-19(11)8-10(20)2/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyWWDWRPQJJUIMFN-UHFFFAOYSA-N
XLogP0.92
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine (CID 80836544) is 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(N2CC3CCCCN3CC2C)n1.
What is the InChIKey of 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is WWDWRPQJJUIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-21-14-17-12(15)16-13(18-14)20-9-11-6-4-5-7-19(11)8-10(20)2/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine?
4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80836544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).