2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine

C9H14N2 — CID 22177674

IUPAC2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine
SMILESC1=CN2CCNC=C2CCC1
InChIInChI=1S/C9H14N2/c1-2-4-9-8-10-5-7-11(9)6-3-1/h3,6,8,10H,1-2,4-5,7H2
InChIKeyYORHNHKJPVWGMI-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.43
Rot. Bonds

About 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine

2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine (PubChem CID 22177674) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine.

Molecular Properties

Compound Name2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine
PubChem CID22177674
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine
SMILESC1=CN2CCNC=C2CCC1
InChIInChI=1S/C9H14N2/c1-2-4-9-8-10-5-7-11(9)6-3-1/h3,6,8,10H,1-2,4-5,7H2
InChIKeyYORHNHKJPVWGMI-UHFFFAOYSA-N
XLogP1.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine?
The IUPAC name of 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine (CID 22177674) is 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine.
What is the SMILES notation for 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine?
The canonical SMILES for 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine is C1=CN2CCNC=C2CCC1.
What is the InChIKey of 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine?
The InChIKey is YORHNHKJPVWGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-4-9-8-10-5-7-11(9)6-3-1/h3,6,8,10H,1-2,4-5,7H2.
What are the key properties of 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine?
2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine has a molecular weight of 150.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8,9,10-hexahydropyrazino[1,2-a]azepine is sourced from PubChem (CID 22177674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).