2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine

C9H16N2 — CID 162433340

IUPAC2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine
SMILESCN1CCN2C=CCCC2C1
InChIInChI=1S/C9H16N2/c1-10-6-7-11-5-3-2-4-9(11)8-10/h3,5,9H,2,4,6-8H2,1H3
InChIKeyAXJKNIPGOUOSNR-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.91
Rot. Bonds

About 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine

2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine (PubChem CID 162433340) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine
PubChem CID162433340
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine
SMILESCN1CCN2C=CCCC2C1
InChIInChI=1S/C9H16N2/c1-10-6-7-11-5-3-2-4-9(11)8-10/h3,5,9H,2,4,6-8H2,1H3
InChIKeyAXJKNIPGOUOSNR-UHFFFAOYSA-N
XLogP0.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine (CID 162433340) is 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine is CN1CCN2C=CCCC2C1.
What is the InChIKey of 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine?
The InChIKey is AXJKNIPGOUOSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-6-7-11-5-3-2-4-9(11)8-10/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine?
2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine has a molecular weight of 152.24 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 162433340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).